data_[Cu12Te12]
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 [P2/c]
_cell_length_a [6.0465]
_cell_length_b [19.4550]
_cell_length_c [16.8771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CuTe]
_chemical_formula_sum '[Cu12 Te12]'
_cell_volume [1984.8079]
_cell_formula_units_Z [12]
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  0.0353  0.4832  0.6561  1
  Cu  Cu1  4  0.2212  0.4372  0.2663  1
  Cu  Cu2  4  0.4255  0.4589  0.1417  1
  Te  Te3  4  0.0453  0.3855  0.1289  1
  Te  Te4  2  0.0000  0.3865  0.7500  1
  Te  Te5  2  0.0000  0.5000  0.0000  1
  Te  Te6  2  0.5000  0.4495  0.7500  1
  Te  Te7  2  0.5000  0.5000  0.0000  1
]