data_[Cu30Te16]
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 [P3m1]
_cell_length_a [8.3962]
_cell_length_b [8.3962]
_cell_length_c [25.6124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cu15Te8]
_chemical_formula_sum '[Cu30 Te16]'
_cell_volume [1563.6912]
_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  3  0.0154  0.5077  0.0836  1
  Cu  Cu1  3  0.0303  0.5151  0.3665  1
  Cu  Cu2  3  0.1769  0.3539  0.4344  1
  Cu  Cu3  3  0.1785  0.3569  0.1508  1
  Cu  Cu4  3  0.3369  0.1684  0.1123  1
  Cu  Cu5  3  0.3410  0.1705  0.3960  1
  Cu  Cu6  3  0.5068  0.0136  0.4659  1
  Cu  Cu7  3  0.5163  0.0326  0.1827  1
  Cu  Cu8  1  0.0000  0.0000  0.1487  1
  Cu  Cu9  1  0.0000  0.0000  0.4337  1
  Cu  Cu10  1  0.3333  0.6667  0.0511  1
  Cu  Cu11  1  0.3333  0.6667  0.3117  1
  Cu  Cu12  1  0.6667  0.3333  0.2390  1
  Cu  Cu13  1  0.6667  0.3333  0.4939  1
  Te  Te14  3  0.1513  0.3026  0.3333  1
  Te  Te15  3  0.1526  0.3052  0.0485  1
  Te  Te16  3  0.3048  0.1524  0.2160  1
  Te  Te17  3  0.3067  0.1534  0.5009  1
  Te  Te18  1  0.3333  0.6667  0.2064  1
  Te  Te19  1  0.3333  0.6667  0.4915  1
  Te  Te20  1  0.6667  0.3333  0.0599  1
  Te  Te21  1  0.6667  0.3333  0.3434  1
]