data_[Ca2Bi4Os2O12]
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
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6250]
_cell_length_b [6.1526]
_cell_length_c [9.8583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaBi2OsO6]
_chemical_formula_sum '[Ca2 Bi4 Os2 O12]'
_cell_volume [285.8880]
_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  2  0.5000  0.0000  0.0000  1
  Bi  Bi1  4  0.2707  0.5644  0.7779  1
  Os  Os2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1060  0.7398  0.4239  1
  O  O4  4  0.3034  0.1591  0.4817  1
  O  O5  4  0.3468  0.5634  0.2287  1
]