data_[Cu40Te4]
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 [C2/m]
_cell_length_a [8.0315]
_cell_length_b [3.6585]
_cell_length_c [31.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu10Te]
_chemical_formula_sum '[Cu40 Te4]'
_cell_volume [930.8605]
_cell_formula_units_Z [4]
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  0.0494  0.5000  0.5379  1
  Cu  Cu1  4  0.0498  0.0000  0.4120  1
  Cu  Cu2  4  0.0508  0.5000  0.2836  1
  Cu  Cu3  4  0.0522  0.0000  0.6644  1
  Cu  Cu4  4  0.1464  0.5000  0.3610  1
  Cu  Cu5  4  0.1473  0.0000  0.7433  1
  Cu  Cu6  4  0.1506  0.0000  0.4876  1
  Cu  Cu7  4  0.1517  0.5000  0.6137  1
  Cu  Cu8  4  0.2486  0.0000  0.3098  1
  Cu  Cu9  4  0.2497  0.0000  0.5631  1
  Te  Te10  4  0.1533  0.0000  0.2231  1
]