data_[Ba8Cr8Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0309]
_cell_length_b [4.7430]
_cell_length_c [13.3154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Cr2Sb3]
_chemical_formula_sum '[Ba8 Cr8 Sb12]'
_cell_volume [920.3917]
_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  0.1092  0.5000  0.9554  1
  Ba  Ba1  4  0.2342  0.5000  0.3421  1
  Cr  Cr2  4  0.0367  0.0000  0.3155  1
  Cr  Cr3  4  0.0828  0.5000  0.6496  1
  Sb  Sb4  4  0.0711  0.0000  0.1338  1
  Sb  Sb5  4  0.0980  0.5000  0.4514  1
  Sb  Sb6  4  0.1461  0.0000  0.7867  1
]