data_[Cu11Te8]
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 [P6]
_cell_length_a [9.4664]
_cell_length_b [9.4664]
_cell_length_c [19.4501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Cu11Te8]
_chemical_formula_sum '[Cu11 Te8]'
_cell_volume [1509.4566]
_cell_formula_units_Z [1]
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  0.2408  0.7508  0.5822  1
  Cu  Cu1  3  0.0000  0.5000  0.5452  1
  Cu  Cu2  2  0.3333  0.6667  0.4811  1
  Te  Te3  6  0.0804  0.7205  0.4504  1
  Te  Te4  2  0.3333  0.6667  0.3534  1
]