data_[Ba6In2Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9067]
_cell_length_b [9.3374]
_cell_length_c [10.1903]
_cell_angle_alpha [85.0303]
_cell_angle_beta [88.3922]
_cell_angle_gamma [78.0090]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba3InSb]
_chemical_formula_sum '[Ba6 In2 Sb2]'
_cell_volume [454.9521]
_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  2  0.0630  0.3984  0.1616  1.0
  Ba  Ba1  2  0.2349  0.0258  0.8237  1.0
  Ba  Ba2  2  0.3385  0.7070  0.4161  1.0
  In  In3  2  0.2320  0.0859  0.4290  1.0
  Sb  Sb4  2  0.3836  0.7167  0.0713  1.0
]