data_[Ba6Ca4Bi8]
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 [15.2243]
_cell_length_b [5.0284]
_cell_length_c [10.8673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(CaBi2)2]
_chemical_formula_sum '[Ba6 Ca4 Bi8]'
_cell_volume [736.1749]
_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  0.1147  0.5000  0.6948  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca2  4  0.1890  0.5000  0.3482  1.0
  Bi  Bi3  4  0.0842  0.0000  0.3962  1.0
  Bi  Bi4  4  0.2022  0.5000  0.0586  1.0
]