data_ZnCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.51
_cell_angle_alpha   108.94
_cell_angle_beta   108.94
_cell_angle_gamma   102.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuTe2
_chemical_formula_sum   'Zn1 Cu1 Te2'
_cell_volume   95.51
_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  0.15  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.41  0.96  0.93  1.0
  Te  Te2  1  0.41  0.04  0.93  1.0

data_ZnCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   102.45
_cell_angle_beta   108.94
_cell_angle_gamma   108.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuTe2
_chemical_formula_sum   'Zn1 Cu1 Te2'
_cell_volume   95.51
_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  0.15  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.93  0.41  0.04  1.0
  Te  Te3  1  0.93  0.41  0.96  1.0

Zn Cu Te Te