data_[Ba10Ce2Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3399]
_cell_length_b [4.9247]
_cell_length_c [9.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5CeSb4]
_chemical_formula_sum '[Ba10 Ce2 Sb8]'
_cell_volume [976.2905]
_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  0.1597  0.0000  0.3318  1
  Ba  Ba1  4  0.1690  0.0000  0.8527  1
  Ba  Ba2  2  0.0000  0.5000  0.5000  1
  Ce  Ce3  2  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.0028  0.0000  0.7698  1
  Sb  Sb5  4  0.1597  0.5000  0.0938  1
]