data_[Cs10Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6792]
_cell_length_b [6.0423]
_cell_length_c [12.1516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5Sb4]
_chemical_formula_sum '[Cs10 Sb8]'
_cell_volume [924.1651]
_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
[
  Cs  Cs0  4  0.1069  0.0000  0.3986  1.0
  Cs  Cs1  4  0.2463  0.0000  0.8300  1.0
  Cs  Cs2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0453  0.5000  0.8117  1.0
  Sb  Sb4  4  0.0970  0.5000  0.6073  1.0
]