data_GaSi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.24
_cell_angle_alpha   99.96
_cell_angle_beta   99.96
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Ge
_chemical_formula_sum   'Ga1 Si2 Ge1'
_cell_volume   68.96
_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  0.29  0.0  0.63  1.0
  Si  Si2  1  0.43  0.0  0.06  1.0
  Si  Si3  1  0.71  0.0  0.99  1.0
  Ge  Ge1  1  0.81  0.0  0.21  1.0

data_GaSi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.93
_cell_length_c   5.24
_cell_angle_alpha   99.96
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSi2Ge
_chemical_formula_sum   'Ga1 Si2 Ge1'
_cell_volume   68.96
_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  0.71  0.37  1.0
  Si  Si1  1  0.0  0.29  0.01  1.0
  Si  Si2  1  0.0  0.57  0.94  1.0
  Ge  Ge3  1  0.0  0.19  0.79  1.0

Ga Si Si Ge
Ga Si Si Ge 0 3 - o o 0 0 + - o 0 1 o o + 0 2 o o o 1 2 o o - 2 3 o o + 