data_image0
_chemical_formula_structural       BaZrO3CaTiO3CaTiO3BaZrO3
_chemical_formula_sum              "Ba2 Zr2 O12 Ca2 Ti2"
_cell_length_a       5.793612595901677
_cell_length_b       5.793612595901677
_cell_length_c       8.193405508259746
_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
  Ba  Ba1       1.0  0.9955401151643002  0.9942278092894231  0.0005374370165927115  1.0000
  Zr  Zr1       1.0  0.49441570155413045  0.9913377914529006  0.2501911706087542  1.0000
  O   O1        1.0  0.48131882559604217  0.0396660083854637  0.9923132519919204  1.0000
  O   O2        1.0  0.2730460517387781  0.28997749064321166  0.2565960616006989  1.0000
  O   O3        1.0  0.20335912939673992  0.7831637631412972  0.2654167813752646  1.0000
  Ca  Ca1       1.0  0.4771854269982145  0.4766211507476295  0.0017114525833256946  1.0000
  Ti  Ti1       1.0  0.9953068365200494  0.4908106537168459  0.25059500851295424  1.0000
  O   O4        1.0  0.04004230663974506  0.4873313048017118  0.007315915068843099  1.0000
  O   O5        1.0  0.7097117299730316  0.6967779263719958  0.21170720340342833  1.0000
  O   O6        1.0  0.7971149406639747  0.2202239783974585  0.2652138568167386  1.0000
  Ca  Ca2       1.0  0.9799190946254583  0.9780273995275088  0.5001764554747188  1.0000
  Ti  Ti2       1.0  0.4957349838841719  0.9911083162461223  0.750496323860152  1.0000
  O   O7        1.0  0.5391784841314463  0.988020169305816  0.5073492588293831  1.0000
  O   O8        1.0  0.2092645655833252  0.19723514885267993  0.7110831337234973  1.0000
  O   O9        1.0  0.2961173832117996  0.7210775953616722  0.7651239961959175  1.0000
  Ba  Ba2       1.0  0.495702330353009  0.4947986891924887  0.5009513314222682  1.0000
  Zr  Zr2       1.0  0.9939983476423994  0.4916483556116071  0.7500289895893256  1.0000
  O   O10       1.0  0.9814681085165228  0.5392922674591788  0.4921947878734017  1.0000
  O   O11       1.0  0.7726625254415598  0.7907349802949947  0.7560427622743109  1.0000
  O   O12       1.0  0.7025169255155819  0.28441985913094475  0.765650395119654  1.0000