data_Ga2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   132.26
_cell_angle_beta   132.26
_cell_angle_gamma   69.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GeTe
_chemical_formula_sum   'Ga2 Ge1 Te1'
_cell_volume   91.83
_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  0.0  0.25  0.28  1.0
  Ga  Ga1  1  0.25  0.0  0.28  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.55  1.0

data_Ga2GeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   124.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2GeTe
_chemical_formula_sum   'Ga4 Ge2 Te2'
_cell_volume   183.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.38  0.38  0.03  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.55  1.0

Ga Ga Ge Te