data_ZnGa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.04
_cell_angle_alpha   106.86
_cell_angle_beta   106.86
_cell_angle_gamma   52.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Te
_chemical_formula_sum   'Zn1 Ga2 Te1'
_cell_volume   88.77
_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  0.54  0.0  0.22  1.0
  Ga  Ga0  1  0.85  0.0  0.04  1.0
  Ga  Ga1  1  0.36  0.0  0.63  1.0
  Te  Te2  1  0.23  0.0  0.7  1.0

data_ZnGa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.43
_cell_length_c   6.04
_cell_angle_alpha   106.86
_cell_angle_beta   90.0
_cell_angle_gamma   116.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Te
_chemical_formula_sum   'Zn1 Ga2 Te1'
_cell_volume   88.77
_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  0.46  0.78  1.0
  Ga  Ga1  1  0.0  0.15  0.96  1.0
  Ga  Ga2  1  0.0  0.64  0.37  1.0
  Te  Te3  1  0.0  0.77  0.3  1.0

Zn Ga Ga Te
Zn Ga Ga Te 0 1 o o o 2 3 o o o 