data_Zn2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   142.95
_cell_angle_beta   142.55
_cell_angle_gamma   53.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GeTe
_chemical_formula_sum   'Zn2 Ge1 Te1'
_cell_volume   85.54
_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  Zn2  1  0.0  0.0  0.05  1.0
  Zn  Zn3  1  0.96  0.0  0.8  1.0
  Ge  Ge0  1  0.0  0.0  0.45  1.0
  Te  Te1  1  0.0  0.98  0.71  1.0

data_Zn2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.96
_cell_length_c   6.17
_cell_angle_alpha   108.73
_cell_angle_beta   108.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GeTe
_chemical_formula_sum   'Zn2 Ge1 Te1'
_cell_volume   85.54
_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  0.17  0.2  0.17  1.0
  Zn  Zn1  1  0.95  0.95  0.95  1.0
  Ge  Ge2  1  0.55  0.55  0.55  1.0
  Te  Te3  1  0.29  0.27  0.27  1.0

Zn Zn Ge Te