data_[Ba4In4Bi4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5572]
_cell_length_b [4.4958]
_cell_length_c [9.0803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In2Bi2Sb]
_chemical_formula_sum '[Ba4 In4 Bi4 Sb2]'
_cell_volume [522.9562]
_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  0.0105  0.5000  0.2832  1.0
  In  In1  4  0.2259  0.0000  0.1123  1.0
  Bi  Bi2  4  0.2094  0.0000  0.6010  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
]