data_image0
_chemical_formula_structural       BaZrO3BaZrO3BaZrO3BaZrO3
_chemical_formula_sum              "Ba4 Zr4 O12"
_cell_length_a       6.05473747736599
_cell_length_b       6.05473747736599
_cell_length_c       8.562691857099644
_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  0.999943178315711  0.999943178315711  0.9998502622405866  1.0000
  Zr  Zr1       1.0  0.5000016859862528  3.925625281323738e-06  0.25000000000003963  1.0000
  O   O1        1.0  0.4999339170476921  0.9999244230936203  0.999990544159169  1.0000
  O   O2        1.0  0.25018160519562127  0.25018160519562127  0.25000000000004646  1.0000
  O   O3        1.0  0.25008101469738314  0.7499116123199535  0.2500000000000443  1.0000
  Ba  Ba2       1.0  0.49992705458059095  0.49992705458059095  0.00016648724653748248  1.0000
  Zr  Zr2       1.0  3.9256252817310155e-06  0.5000016859862529  0.25000000000003963  1.0000
  O   O4        1.0  0.9999244230936208  0.4999339170476922  0.999990544159169  1.0000
  O   O5        1.0  0.7499203170146704  0.7499203170146704  0.2500000000000476  1.0000
  O   O6        1.0  0.7499116123199534  0.25008101469738303  0.2500000000000443  1.0000
  Ba  Ba3       1.0  0.9999431783156458  0.9999431783156458  0.5001497377595676  1.0000
  Zr  Zr3       1.0  0.5001398442805954  8.682047884663324e-05  0.7500000000000596  1.0000
  O   O7        1.0  0.49993391704768886  0.9999244230936498  0.5000094558408743  1.0000
  O   O8        1.0  0.25031626996254447  0.2503162699625444  0.7500000000000402  1.0000
  O   O9        1.0  0.25187197043336024  0.7498214515296995  0.7500000000000399  1.0000
  Ba  Ba4       1.0  0.4999270545805736  0.4999270545805736  0.4998335127534363  1.0000
  Zr  Zr4       1.0  8.682047884711608e-05  0.5001398442805953  0.7500000000000596  1.0000
  O   O10       1.0  0.99992442309365  0.49993391704768875  0.5000094558408743  1.0000
  O   O11       1.0  0.7529332356719357  0.7529332356719357  0.7500000000000389  1.0000
  O   O12       1.0  0.7498214515296994  0.2518719704333601  0.7500000000000399  1.0000