data_Ga2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   5.04
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GeTe
_chemical_formula_sum   'Ga2 Ge1 Te1'
_cell_volume   90.09
_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
  Ga  Ga0  1  0.53  0.52  0.48  1.0
  Ga  Ga1  1  0.15  0.52  0.35  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.3  0.0  0.91  1.0

data_Ga2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.04
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GeTe
_chemical_formula_sum   'Ga2 Ge1 Te1'
_cell_volume   90.09
_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
  Ga  Ga0  1  0.15  0.52  0.35  1.0
  Ga  Ga1  1  0.53  0.52  0.48  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.3  0.0  0.91  1.0

Ga Ga Ge Te
Ga Ga Ge Te 0 1 o o o 2 3 o o - 