data_CuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   7.77
_cell_angle_alpha   122.93
_cell_angle_beta   122.93
_cell_angle_gamma   34.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTe2
_chemical_formula_sum   'Cu2 Te4'
_cell_volume   150.76
_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  1  0.46  0.0  0.21  1.0
  Cu  Cu1  1  0.36  0.0  0.17  1.0
  Te  Te2  1  0.71  0.0  0.04  1.0
  Te  Te3  1  0.01  0.0  0.76  1.0
  Te  Te4  1  0.81  0.0  0.62  1.0
  Te  Te5  1  0.11  0.0  0.35  1.0

data_CuTe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.86
_cell_length_b   6.42
_cell_length_c   6.88
_cell_angle_alpha   71.38
_cell_angle_beta   73.72
_cell_angle_gamma   72.52
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuTe2
_chemical_formula_sum   'Cu2 Te4'
_cell_volume   150.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.03  0.02  1.0
  Te  Te1  2  0.0  0.03  0.57  1.0
  Te  Te2  2  0.0  0.46  0.85  1.0

Cu Cu Te Te Te Te