data_[Cu6Te8]
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 [C2/m]
_cell_length_a [7.6436]
_cell_length_b [4.0794]
_cell_length_c [11.6518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu3Te4]
_chemical_formula_sum '[Cu6 Te8]'
_cell_volume [359.4588]
_cell_formula_units_Z [2]
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  4  0.2445  0.5000  0.9314  1.0
  Cu  Cu1  2  0.0000  0.5000  0.5000  1.0
  Te  Te2  4  0.0561  0.0000  0.8594  1.0
  Te  Te3  4  0.1446  0.0000  0.6142  1.0
]