data_[Ba6Ag4Bi8]
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 [13.1491]
_cell_length_b [5.1021]
_cell_length_c [9.9079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(AgBi2)2]
_chemical_formula_sum '[Ba6 Ag4 Bi8]'
_cell_volume [640.0482]
_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  0.1200  0.5000  0.6875  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.2018  0.5000  0.3736  1.0
  Bi  Bi3  4  0.0924  0.0000  0.3883  1.0
  Bi  Bi4  4  0.2127  0.5000  0.0781  1.0
]