data_[Ba8Ge4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2721]
_cell_length_b [7.3826]
_cell_length_c [10.2778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2GeSb]
_chemical_formula_sum '[Ba8 Ge4 Sb4]'
_cell_volume [597.2601]
_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  4  0.0339  0.2471  0.1330  1
  Ba  Ba1  4  0.4264  0.7480  0.2317  1
  Ge  Ge2  4  0.3186  0.0435  0.9551  1
  Sb  Sb3  4  0.2767  0.0835  0.4437  1
]