data_image0
_chemical_formula_structural       PbZrO3CaTiO3CaTiO3PbZrO3
_chemical_formula_sum              "Pb2 Zr2 O12 Ca2 Ti2"
_cell_length_a       5.750106864110689
_cell_length_b       5.750106864110689
_cell_length_c       8.131879112319965
_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
  Pb  Pb1       1.0  0.0011310133420659007  0.9939452324476492  0.013342514237907168  1.0000
  Zr  Zr1       1.0  0.49683615336890746  0.9892693875524706  0.2528560936059887  1.0000
  O   O1        1.0  0.45729968031585727  0.049533445217723134  0.9937872880413896  1.0000
  O   O2        1.0  0.270392200877328  0.2958238950193399  0.277118656298727  1.0000
  O   O3        1.0  0.1927550256804306  0.7938123583080956  0.2644504426853028  1.0000
  Ca  Ca1       1.0  0.48258437133723  0.4793201589853126  0.002008195340035454  1.0000
  Ti  Ti1       1.0  0.9955712735196607  0.49237856535476276  0.2539347706924398  1.0000
  O   O4        1.0  0.05287065251036438  0.4818460195025217  0.008812629863542266  1.0000
  O   O5        1.0  0.7073484009734544  0.7011443837845076  0.2007857180454246  1.0000
  O   O6        1.0  0.7962712777554204  0.21984180717851456  0.2540055714953714  1.0000
  Ca  Ca2       1.0  0.9857758310629152  0.9805373160661279  0.4998300221842891  1.0000
  Ti  Ti2       1.0  0.499978829661652  0.9904675309845894  0.7544499419789128  1.0000
  O   O7        1.0  0.5529536998868735  0.9890300389631196  0.5089202755393469  1.0000
  O   O8        1.0  0.20536846019788024  0.20613871691471258  0.7005026616419276  1.0000
  O   O9        1.0  0.2950725295008753  0.7240246486623977  0.7555148664553542  1.0000
  Pb  Pb2       1.0  0.49047173817367407  0.48224252649242605  0.5128473948190193  1.0000
  Zr  Zr2       1.0  0.9941515644964063  0.49165397348295536  0.7527920783195224  1.0000
  O   O10       1.0  0.957610734572943  0.5497400581783887  0.4931179883378323  1.0000
  O   O11       1.0  0.7738286669998335  0.8034211617340332  0.7761375137305135  1.0000
  O   O12       1.0  0.6884486083635845  0.29951143035997163  0.7664290953335193  1.0000