crystod -c ../test_POSCARs/221_PPOSCAR_ScF3 --element F --orbital p 

 ### Inputed cell was converted into primitive cell. ###

* Space group *
 Pm-3m (221)

* Element (number of atoms) *
 F (3)

* Wyckoff letters and site symmetry letters *
 ['d', 'd', 'd']
 ['4/mm.m', '4/mm.m', '4/mm.m']

* Atomic Orbital *
 p

* Crystal Orbitals *
 k point (primitive):  GM [0.0, 0.0, 0.0]
 little group of k  :  Pm-3m (221)
 irreps             :  2.0 [GM4-(3)] + 1.0 [GM5-(3)]

 k point (primitive):  R [0.5, 0.5, 0.5]
 little group of k  :  Pm-3m (221)
 irreps             :  1.0 [R1+(1)] + 1.0 [R3+(2)] + 1.0 [R4+(3)] + 1.0 [R5+(3)]

 k point (primitive):  X [0.0, 0.5, 0.0]
 little group of k  :  P4/mmm (123)
 irreps             :  1.0 [X1+(1)] + 1.0 [X3-(1)] + 1.0 [X4-(1)] + 1.0 [X5+(2)] + 2.0 [X5-(2)]

 k point (primitive):  M [0.5, 0.5, 0.0]
 little group of k  :  P4/mmm (123)
 irreps             :  1.0 [M1+(1)] + 1.0 [M2+(1)] + 1.0 [M3+(1)] + 1.0 [M3-(1)] + 1.0 [M4+(1)] + 1.0 [M5+(2)] + 1.0 [M5-(2)]










crystod -c ../test_POSCARs/221_PPOSCAR_ScF3 --atomic-orbital Sc_d F_p

 ### Inputed cell was converted into primitive cell. ###

* Space group *
 Pm-3m (221)

* Position *
 wyckoff letters      : ['a', 'd', 'd', 'd']
 site symmetry letters: ['m-3m', '4/mm.m', '4/mm.m', '4/mm.m']

* Atomic Orbital *
 ['Sc_d', 'F_p']

* Spinor *
 False

* Result *
 k point (primitive):  GM [0.0, 0.0, 0.0]
 little group of k  :  Pm-3m (221)
 GM1+(1):
 GM1-(1):
 GM2+(1):
 GM2-(1):
 GM3+(2): Sc(d)
 GM3-(2):
 GM4+(3):
 GM4-(3): F(p)
 GM5+(3): Sc(d)
 GM5-(3): F(p)

 k point (primitive):  R [0.5, 0.5, 0.5]
 little group of k  :  Pm-3m (221)
 R1+(1): F(p)
 R1-(1):
 R2+(1):
 R2-(1):
 R3+(2): Sc(d) F(p)
 R3-(2):
 R4+(3): F(p)
 R4-(3):
 R5+(3): Sc(d) F(p)
 R5-(3):

 k point (primitive):  X [0.0, 0.5, 0.0]
 little group of k  :  P4/mmm (123)
 X1+(1): Sc(d) F(p)
 X1-(1):
 X2+(1): Sc(d)
 X2-(1):
 X3+(1):
 X3-(1): F(p)
 X4+(1): Sc(d)
 X4-(1): F(p)
 X5+(2): Sc(d) F(p)
 X5-(2): F(p)

 k point (primitive):  M [0.5, 0.5, 0.0]
 little group of k  :  P4/mmm (123)
 M1+(1): Sc(d) F(p)
 M1-(1):
 M2+(1): Sc(d) F(p)
 M2-(1):
 M3+(1): F(p)
 M3-(1): F(p)
 M4+(1): Sc(d) F(p)
 M4-(1):
 M5+(2): Sc(d) F(p)
 M5-(2): F(p)




