data_[Ca4Bi8O16]
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 [C2/m]
_cell_length_a [14.3006]
_cell_length_b [3.5241]
_cell_length_c [11.1828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(BiO2)2]
_chemical_formula_sum '[Ca4 Bi8 O16]'
_cell_volume [497.8573]
_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  0.2068  0.5000  0.2252  1.0
  Bi  Bi1  4  0.1193  0.0000  0.4349  1.0
  Bi  Bi2  4  0.1277  0.5000  0.8656  1.0
  O  O3  4  0.0707  0.5000  0.2911  1.0
  O  O4  4  0.1164  0.0000  0.7356  1.0
  O  O5  4  0.2010  0.0000  0.0813  1.0
  O  O6  4  0.2448  0.5000  0.6031  1.0
]