# generated using pymatgen
data_CaAl2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76071021
_cell_length_b   9.44434891
_cell_length_c   8.13195679
_cell_angle_alpha   82.17573783
_cell_angle_beta   84.94397759
_cell_angle_gamma   89.71413692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl2(SiO4)2
_chemical_formula_sum   'Ca4 Al8 Si8 O32'
_cell_volume   663.95740088
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.07623481  0.00235334  0.23048831  1.0
  Ca  Ca1  1  0.41826849  0.42322778  0.31187246  1.0
  Ca  Ca2  1  0.58173151  0.57677222  0.68812754  1.0
  Ca  Ca3  1  0.92376519  0.99764666  0.76951269  1.0
  Al  Al4  1  0.44003398  0.18910899  0.00080255  1.0
  Al  Al5  1  0.06743182  0.69025271  0.12005583  1.0
  Al  Al6  1  0.77215103  0.45258214  0.38787762  1.0
  Al  Al7  1  0.27822775  0.05517506  0.52235414  1.0
  Al  Al8  1  0.72177225  0.94482494  0.47764586  1.0
  Al  Al9  1  0.22784897  0.54741786  0.61212238  1.0
  Al  Al10  1  0.93256818  0.30974729  0.87994417  1.0
  Al  Al11  1  0.55996602  0.81089101  0.99919745  1.0
  Si  Si12  1  0.73895738  0.05435585  0.09660581  1.0
  Si  Si13  1  0.75433386  0.54554271  0.02286384  1.0
  Si  Si14  1  0.05405235  0.29376527  0.49838569  1.0
  Si  Si15  1  0.42994404  0.79377107  0.39283621  1.0
  Si  Si16  1  0.57005596  0.20622893  0.60716379  1.0
  Si  Si17  1  0.94594765  0.70623473  0.50161431  1.0
  Si  Si18  1  0.24566614  0.45445729  0.97713616  1.0
  Si  Si19  1  0.26104262  0.94564415  0.90339419  1.0
  O  O20  1  0.28507465  0.06731102  0.02419654  1.0
  O  O21  1  0.88902652  0.14138767  0.99895353  1.0
  O  O22  1  0.36766343  0.34594350  0.06806895  1.0
  O  O23  1  0.58506275  0.14075540  0.12796571  1.0
  O  O24  1  0.21919653  0.57109895  0.10560734  1.0
  O  O25  1  0.90455578  0.62765344  0.05419626  1.0
  O  O26  1  0.67498570  0.47806600  0.20664745  1.0
  O  O27  1  0.48967215  0.78657270  0.20437937  1.0
  O  O28  1  0.03406376  0.74690920  0.31701494  1.0
  O  O29  1  0.12267752  0.14740964  0.43282014  1.0
  O  O30  1  0.94054376  0.36231524  0.36623536  1.0
  O  O31  1  0.80082261  0.98948470  0.27325333  1.0
  O  O32  1  0.43507619  0.16946229  0.49385194  1.0
  O  O33  1  0.29359069  0.91034012  0.40936104  1.0
  O  O34  1  0.19968681  0.39818510  0.50980190  1.0
  O  O35  1  0.37959235  0.62943797  0.47445666  1.0
  O  O36  1  0.62040765  0.37056203  0.52554334  1.0
  O  O37  1  0.80031319  0.60181490  0.49019810  1.0
  O  O38  1  0.70640931  0.08966088  0.59063896  1.0
  O  O39  1  0.56492381  0.83053771  0.50614806  1.0
  O  O40  1  0.19917739  0.01051530  0.72674667  1.0
  O  O41  1  0.05945624  0.63768476  0.63376464  1.0
  O  O42  1  0.87732248  0.85259036  0.56717986  1.0
  O  O43  1  0.96593624  0.25309080  0.68298506  1.0
  O  O44  1  0.51032785  0.21342830  0.79562063  1.0
  O  O45  1  0.32501430  0.52193400  0.79335255  1.0
  O  O46  1  0.09544422  0.37234656  0.94580374  1.0
  O  O47  1  0.78080347  0.42890105  0.89439266  1.0
  O  O48  1  0.41493725  0.85924460  0.87203429  1.0
  O  O49  1  0.63233657  0.65405650  0.93193105  1.0
  O  O50  1  0.11097348  0.85861233  0.00104647  1.0
  O  O51  1  0.71492535  0.93268898  0.97580346  1.0