data_[Ba8Ga16Sb16]
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 [Pnma]
_cell_length_a [25.7675]
_cell_length_b [4.5014]
_cell_length_c [10.3712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba(GaSb)2]
_chemical_formula_sum '[Ba8 Ga16 Sb16]'
_cell_volume [1202.9363]
_cell_formula_units_Z [8]
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  0.0382  0.7500  0.7220  1
  Ba  Ba1  4  0.2084  0.2500  0.9508  1
  Ga  Ga2  4  0.0343  0.7500  0.1026  1
  Ga  Ga3  4  0.0785  0.7500  0.3232  1
  Ga  Ga4  4  0.1817  0.2500  0.5331  1
  Ga  Ga5  4  0.2149  0.2500  0.2973  1
  Sb  Sb6  4  0.0710  0.2500  0.9822  1
  Sb  Sb7  4  0.0781  0.2500  0.4746  1
  Sb  Sb8  4  0.1706  0.7500  0.1993  1
  Sb  Sb9  4  0.1853  0.7500  0.6871  1
]