data_ZnCu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   135.11
_cell_angle_beta   134.16
_cell_angle_gamma   66.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Te
_chemical_formula_sum   'Zn1 Cu2 Te1'
_cell_volume   67.24
_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  0.0  0.0  0.43  1.0
  Cu  Cu0  1  0.96  0.0  0.1  1.0
  Cu  Cu1  1  0.0  0.0  0.12  1.0
  Te  Te2  1  0.96  0.0  0.24  1.0

data_ZnCu2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.99
_cell_length_c   5.13
_cell_angle_alpha   112.92
_cell_angle_beta   112.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Te
_chemical_formula_sum   'Zn1 Cu2 Te1'
_cell_volume   67.24
_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  0.43  0.43  1.0
  Cu  Cu1  1  0.0  0.1  0.14  1.0
  Cu  Cu2  1  0.0  0.12  0.12  1.0
  Te  Te3  1  0.0  0.24  0.29  1.0

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