SiO2 P42/mnm example
1.0
4.17333286205 -0.00000024701 -0.00000014033
0.00000006807 4.17333325777 -0.00000007569
0.00000004364 0.00000002969 2.67532823516
O Si
4 2
Direct
0.69466857 0.80533503 0.24999999
0.30533073 0.19467294 0.24999999
0.80533118 0.30533501 0.74999995
0.19466904 0.69467291 0.75000008
0.00000449 0.49999202 0.25000001
0.49999591 0.99999216 0.74999996
