data_[Ba8Zn4Bi8]
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 [Cmc2_1]
_cell_length_a [4.9536]
_cell_length_b [18.4871]
_cell_length_c [8.6435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ZnBi2]
_chemical_formula_sum '[Ba8 Zn4 Bi8]'
_cell_volume [791.5453]
_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
[
  Ba  Ba0  4  0.0000  0.0289  0.7227  1
  Ba  Ba1  4  0.0000  0.2107  0.3991  1
  Zn  Zn2  4  0.0000  0.4148  0.5750  1
  Bi  Bi3  4  0.0000  0.1618  0.0065  1
  Bi  Bi4  4  0.0000  0.4336  0.9310  1
]