data_[Ba10Ca2Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1113]
_cell_length_b [5.6381]
_cell_length_c [8.7094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5CaBi4]
_chemical_formula_sum '[Ba10 Ca2 Bi8]'
_cell_volume [937.4981]
_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
[
  Ba  Ba0  4  0.1556  0.0000  0.9826  1.0
  Ba  Ba1  4  0.1612  0.0000  0.5027  1.0
  Ba  Ba2  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.0143  0.0000  0.2376  1.0
  Bi  Bi5  4  0.1873  0.5000  0.7465  1.0
]