data_[Ba4In4Bi2Sb4]
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 [13.9460]
_cell_length_b [4.7351]
_cell_length_c [9.6562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In2BiSb2]
_chemical_formula_sum '[Ba4 In4 Bi2 Sb4]'
_cell_volume [566.3033]
_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  0.0191  0.5000  0.7429  1
  In  In1  4  0.2055  0.0000  0.3164  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  4  0.1480  0.0000  0.5942  1
]