data_ZnGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   135.37
_cell_angle_beta   110.1
_cell_angle_gamma   86.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeTe2
_chemical_formula_sum   'Zn1 Ge1 Te2'
_cell_volume   103.64
_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  0.0  0.0  0.98  1.0
  Te  Te1  1  0.08  0.0  0.84  1.0
  Te  Te2  1  0.0  0.14  0.14  1.0

data_ZnGeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   69.9
_cell_angle_beta   67.69
_cell_angle_gamma   67.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeTe2
_chemical_formula_sum   'Zn1 Ge1 Te2'
_cell_volume   103.64
_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  0.0  0.98  1.0
  Te  Te2  1  0.0  0.92  0.84  1.0
  Te  Te3  1  0.14  -0.0  0.0  1.0

Zn Ge Te Te