data_CrCuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   138.54
_cell_angle_beta   138.54
_cell_angle_gamma   60.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuTe
_chemical_formula_sum   'Cr1 Cu1 Te1'
_cell_volume   47.89
_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  0.01  1.0
  Cu  Cu1  1  0.0  0.0  0.8  1.0
  Te  Te2  1  0.0  0.0  0.49  1.0

data_CrCuTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   120.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCuTe
_chemical_formula_sum   'Cr2 Cu2 Te2'
_cell_volume   95.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.49  0.5  0.99  1.0
  Cu  Cu1  2  0.2  0.0  0.2  1.0
  Te  Te2  2  0.01  0.5  0.51  1.0

Cr Cu Te
Cr Cu Te 0 1 o o - 1 2 o o o 