data_[Cs12Cu4Te8]
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 [Ibam]
_cell_length_a [8.9924]
_cell_length_b [14.1984]
_cell_length_c [10.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3CuTe2]
_chemical_formula_sum '[Cs12 Cu4 Te8]'
_cell_volume [1354.2303]
_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  0.0000  0.1994  0.2500  1.0
  Cs  Cs1  4  0.0000  0.5000  0.2500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  Te  Te3  8  0.2351  0.0940  0.0000  1.0
]