data_[Ba8Ag4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0339]
_cell_length_b [4.9585]
_cell_length_c [12.8383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AgBi2]
_chemical_formula_sum '[Ba8 Ag4 Bi8]'
_cell_volume [766.8493]
_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  0.0777  0.0000  0.9016  1.0
  Ba  Ba1  4  0.1885  0.5000  0.6470  1.0
  Ag  Ag2  4  0.0843  0.5000  0.3146  1.0
  Bi  Bi3  4  0.0566  0.0000  0.4143  1.0
  Bi  Bi4  4  0.1624  0.5000  0.1355  1.0
]