data_[Ba10Ge4Sb12]
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 [Pbam]
_cell_length_a [13.3932]
_cell_length_b [15.8667]
_cell_length_c [4.7238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ba5(GeSb3)2]
_chemical_formula_sum '[Ba10 Ge4 Sb12]'
_cell_volume [1003.8411]
_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  4  0.0760  0.2460  0.5000  1
  Ba  Ba1  4  0.1757  0.9894  0.5000  1
  Ba  Ba2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  4  0.1735  0.7880  0.0000  1
  Sb  Sb4  4  0.0059  0.9065  0.0000  1
  Sb  Sb5  4  0.1593  0.3944  0.0000  1
  Sb  Sb6  4  0.1746  0.6829  0.5000  1
]