data_CrCu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   3.74
_cell_angle_alpha   109.91
_cell_angle_beta   109.91
_cell_angle_gamma   120.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Te
_chemical_formula_sum   'Cr1 Cu2 Te1'
_cell_volume   69.57
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.35  0.36  0.0  1.0
  Cu  Cu2  1  0.35  0.64  0.0  1.0
  Te  Te3  1  0.7  0.0  0.0  1.0

data_CrCu2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.93
_cell_length_c   5.45
_cell_angle_alpha   110.97
_cell_angle_beta   109.91
_cell_angle_gamma   90.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Te
_chemical_formula_sum   'Cr1 Cu2 Te1'
_cell_volume   69.57
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.36  0.36  0.71  1.0
  Cu  Cu2  1  0.64  0.64  0.99  1.0
  Te  Te3  1  0.0  0.0  0.7  1.0

Cr Cu Cu Te