data_[Cu4Te8]
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 [P2/c]
_cell_length_a [8.5423]
_cell_length_b [4.2649]
_cell_length_c [10.0776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CuTe2]
_chemical_formula_sum '[Cu4 Te8]'
_cell_volume [301.6941]
_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  2  0.0000  0.4769  0.2500  1.0
  Cu  Cu1  2  0.5000  0.0000  0.0000  1.0
  Te  Te2  4  0.1977  0.0357  0.2091  1.0
  Te  Te3  4  0.3026  0.4263  0.0350  1.0
]