data_[Ca4Bi4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8065]
_cell_length_b [6.0644]
_cell_length_c [10.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaBiO3]
_chemical_formula_sum '[Ca4 Bi4 O12]'
_cell_volume [296.3693]
_cell_formula_units_Z [4]
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  0.2355  0.0592  0.2493  1.0
  Bi  Bi1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.0996  0.1991  0.9295  1.0
  O  O4  4  0.2351  0.6794  0.9322  1.0
  O  O5  4  0.3705  0.0662  0.7376  1.0
]