data_[Ca4Ce2Zr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7295]
_cell_length_b [5.9556]
_cell_length_c [10.0970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2CeZrO6]
_chemical_formula_sum '[Ca4 Ce2 Zr2 O12]'
_cell_volume [283.3223]
_cell_formula_units_Z [2]
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  4  0.2322  0.0518  0.2468  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Zr  Zr2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1385  0.1886  0.9388  1.0
  O  O4  4  0.2448  0.7036  0.9303  1.0
  O  O5  4  0.3811  0.0573  0.7593  1.0
]