data_[Ba12Ga8Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1296]
_cell_length_b [11.7395]
_cell_length_c [7.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3(GaSb2)2]
_chemical_formula_sum '[Ba12 Ga8 Sb16]'
_cell_volume [1342.2734]
_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  0.1254  0.1241  0.5381  1.0
  Ba  Ba1  4  0.0000  0.3971  0.2500  1.0
  Ga  Ga2  8  0.2041  0.3814  0.9263  1.0
  Sb  Sb3  8  0.1205  0.1785  0.0237  1.0
  Sb  Sb4  8  0.1574  0.4162  0.5829  1.0
]