data_[Cu5Te5]
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 [P1]
_cell_length_a [4.2783]
_cell_length_b [18.3244]
_cell_length_c [18.3244]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuTe]
_chemical_formula_sum '[Cu5 Te5]'
_cell_volume [1244.1227]
_cell_formula_units_Z [5]
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  1  0.2954  0.3781  0.4435  1
  Cu  Cu1  1  0.3156  0.6044  0.6509  1
  Cu  Cu2  1  0.7935  0.3959  0.5247  1
  Cu  Cu3  1  0.8144  0.6371  0.5155  1
  Cu  Cu4  1  0.8339  0.4404  0.3808  1
  Te  Te5  1  0.2919  0.4506  0.6151  1
  Te  Te6  1  0.3058  0.5430  0.4800  1
  Te  Te7  1  0.6771  0.5633  0.3592  1
  Te  Te8  1  0.7946  0.2959  0.3606  1
  Te  Te9  1  0.8140  0.6912  0.6697  1
]