data_[Cs12Cu8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7156]
_cell_length_b [11.9109]
_cell_length_c [8.0576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(CuTe2)2]
_chemical_formula_sum '[Cs12 Cu8 Te16]'
_cell_volume [1452.1586]
_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  0.1241  0.1422  0.5795  1.0
  Cs  Cs1  4  0.0000  0.4396  0.2500  1.0
  Cu  Cu2  8  0.2185  0.3725  0.9706  1.0
  Te  Te3  8  0.1377  0.2134  0.0843  1.0
  Te  Te4  8  0.2093  0.4431  0.6558  1.0
]