data_Cu3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.24
_cell_angle_alpha   106.34
_cell_angle_beta   106.34
_cell_angle_gamma   50.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Te
_chemical_formula_sum   'Cu3 Te1'
_cell_volume   63.79
_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  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.8  0.0  0.77  1.0
  Cu  Cu2  1  0.08  0.0  0.26  1.0
  Te  Te3  1  0.44  0.0  0.01  1.0

data_Cu3Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.24
_cell_length_c   4.53
_cell_angle_alpha   106.34
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Te
_chemical_formula_sum   'Cu3 Te1'
_cell_volume   63.79
_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  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.26  0.08  1.0
  Cu  Cu2  1  0.0  0.77  0.8  1.0
  Te  Te3  1  0.0  0.01  0.44  1.0

Cu Cu Cu Te