data_[Ba4Bi4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5337]
_cell_length_b [8.3338]
_cell_length_c [11.9920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaBiSb]
_chemical_formula_sum '[Ba4 Bi4 Sb4]'
_cell_volume [526.3235]
_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  0.3707  0.2487  0.9159  1
  Bi  Bi1  4  0.0029  0.1260  0.1206  1
  Sb  Sb2  4  0.2824  0.6372  0.7779  1
]