data_ZnGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.05
_cell_angle_alpha   106.02
_cell_angle_beta   106.02
_cell_angle_gamma   58.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeTe2
_chemical_formula_sum   'Zn1 Ge1 Te2'
_cell_volume   100.21
_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  0.0  1.0
  Ge  Ge0  1  0.54  0.0  0.34  1.0
  Te  Te1  1  0.94  0.0  0.61  1.0
  Te  Te2  1  0.13  0.0  0.08  1.0

data_ZnGeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.19
_cell_length_c   7.05
_cell_angle_alpha   106.02
_cell_angle_beta   90.0
_cell_angle_gamma   119.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeTe2
_chemical_formula_sum   'Zn1 Ge1 Te2'
_cell_volume   100.21
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.46  0.66  1.0
  Te  Te2  1  0.0  0.06  0.39  1.0
  Te  Te3  1  0.0  0.87  0.92  1.0

Zn Ge Te Te