data_image0
_chemical_formula_structural       CaTiO3CaSnO3CaSnO3CaTiO3
_chemical_formula_sum              "Ca4 Ti2 O12 Sn2"
_cell_length_a       5.652968910573354
_cell_length_b       5.652968910573354
_cell_length_c       7.994505301006297
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Ca1       1.0  0.9981352083076923  0.9917924176437879  0.0001903692036711971  1.0000
  Ti  Ti1       1.0  0.498650785927568  0.9990106307249623  0.2500235199836462  1.0000
  O   O1        1.0  0.5004286983308515  0.0077095903578044385  0.007716260951122855  1.0000
  O   O2        1.0  0.31816599945323365  0.307075676811457  0.24974654910450428  1.0000
  O   O3        1.0  0.19555601192710595  0.8192383491060212  0.2502308549850322  1.0000
  Ca  Ca2       1.0  0.49394315806746897  0.4928046692417231  0.9998808338088702  1.0000
  Sn  Sn1       1.0  0.998734152546355  0.4991516858385851  0.24988647752163218  1.0000
  O   O4        1.0  0.0026385895464793307  0.5089100896711761  0.9923491337983869  1.0000
  O   O5        1.0  0.6802650768935443  0.6961653315421071  0.2501304354723048  1.0000
  O   O6        1.0  0.8067977419422475  0.18104456948480693  0.24968216349830644  1.0000
  Ca  Ca3       1.0  0.9981120948107262  0.9920061638389995  0.4998116766092902  1.0000
  Sn  Sn2       1.0  0.4995996490019118  0.9989245367353108  0.7499137409119702  1.0000
  O   O7        1.0  0.5006351625584278  0.008871382155792206  0.49229527683886964  1.0000
  O   O8        1.0  0.18077808639569415  0.19652104204208853  0.7501855716188233  1.0000
  O   O9        1.0  0.307295494595007  0.6816553307175326  0.7494738722214969  1.0000
  Ca  Ca4       1.0  0.4942627869973898  0.4924704469083417  0.5000611102826182  1.0000
  Ti  Ti2       1.0  0.9972948972890061  0.49767844522019267  0.7499785958524827  1.0000
  O   O10       1.0  0.0022150776567344543  0.507619411589745  0.5076521767965326  1.0000
  O   O11       1.0  0.8191093895614093  0.8077086760256901  0.7498247538686096  1.0000
  O   O12       1.0  0.6955158362845992  0.32021254505376856  0.7502483583642438  1.0000