data_[Ba12Sn8Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2937]
_cell_length_b [12.8583]
_cell_length_c [7.1438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3(SnSb2)2]
_chemical_formula_sum '[Ba12 Sn8 Sb16]'
_cell_volume [1402.2228]
_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  8  0.1285  0.1311  0.4029  1.0
  Ba  Ba1  4  0.0000  0.3932  0.7500  1.0
  Sn  Sn2  8  0.2173  0.3766  0.0348  1.0
  Sb  Sb3  8  0.0842  0.1484  0.8939  1.0
  Sb  Sb4  8  0.1573  0.4101  0.4080  1.0
]