data_[Cs4K4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6715]
_cell_length_b [10.6794]
_cell_length_c [7.2989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsKSb]
_chemical_formula_sum '[Cs4 K4 Sb4]'
_cell_volume [584.8261]
_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
[
  Cs  Cs0  4  0.1497  0.6078  0.7574  1.0
  K  K1  4  0.4035  0.2069  0.4622  1.0
  Sb  Sb2  4  0.3547  0.5238  0.3273  1.0
]