data_[Cs12K4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.3363]
_cell_length_b [18.9583]
_cell_length_c [8.0274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3KTe2]
_chemical_formula_sum '[Cs12 K4 Te8]'
_cell_volume [1268.6741]
_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  8  0.2274  0.1830  0.5000  1.0
  Cs  Cs1  4  0.0000  0.5000  0.2500  1.0
  K  K2  4  0.0000  0.0000  0.2500  1.0
  Te  Te3  8  0.2273  0.8816  0.5000  1.0
]