data_[Cu12Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9758]
_cell_length_b [13.0636]
_cell_length_c [7.3024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cu3Te2]
_chemical_formula_sum '[Cu12 Te8]'
_cell_volume [379.2787]
_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
[
  Cu  Cu0  8  0.0000  0.3555  0.0740  1.0
  Cu  Cu1  4  0.0000  0.4597  0.7500  1.0
  Te  Te2  4  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.2539  0.7500  1.0
]