data_[Cu10Te8]
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 [P6mm]
_cell_length_a [9.2955]
_cell_length_b [9.2955]
_cell_length_c [19.1888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Cu5Te4]
_chemical_formula_sum '[Cu10 Te8]'
_cell_volume [1435.8915]
_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  6  0.1486  0.5743  0.3935  1
  Cu  Cu1  3  0.0000  0.5000  0.5119  1
  Cu  Cu2  1  0.0000  0.0000  0.4242  1
  Te  Te3  6  0.0000  0.3105  0.6118  1
  Te  Te4  2  0.3333  0.6667  0.5039  1
]