data_ZnCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   6.85
_cell_angle_alpha   107.61
_cell_angle_beta   107.61
_cell_angle_gamma   56.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuTe2
_chemical_formula_sum   'Zn1 Cu1 Te2'
_cell_volume   92.87
_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
  Zn  Zn3  1  0.48  0.0  0.22  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.4  0.0  0.89  1.0
  Te  Te2  1  0.56  0.0  0.54  1.0

data_ZnCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.15
_cell_length_c   6.85
_cell_angle_alpha   107.61
_cell_angle_beta   90.0
_cell_angle_gamma   118.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuTe2
_chemical_formula_sum   'Zn1 Cu1 Te2'
_cell_volume   92.87
_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
  Zn  Zn0  1  0.0  0.52  0.78  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.44  0.46  1.0
  Te  Te3  1  0.0  0.6  0.11  1.0

Zn Cu Te Te
Zn Cu Te Te 0 1 o o o 0 2 o o - 0 3 o o o 1 2 - o - 1 2 o o - 