data_[Ba6Zn4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2245]
_cell_length_b [4.9784]
_cell_length_c [10.2944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(ZnBi2)2]
_chemical_formula_sum '[Ba6 Zn4 Bi8]'
_cell_volume [636.6115]
_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  0.1249  0.5000  0.6895  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1952  0.5000  0.3570  1
  Bi  Bi3  4  0.0986  0.0000  0.4010  1
  Bi  Bi4  4  0.2125  0.5000  0.0863  1
]