data_GaGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.39
_cell_angle_alpha   101.75
_cell_angle_beta   101.75
_cell_angle_gamma   34.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe2Sb
_chemical_formula_sum   'Ga1 Ge2 Sb1'
_cell_volume   86.66
_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  0.33  0.0  0.21  1.0
  Ge  Ge1  1  0.04  0.0  0.25  1.0
  Ge  Ge2  1  0.78  0.0  0.05  1.0
  Sb  Sb3  1  0.54  0.0  0.66  1.0

data_GaGe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.36
_cell_length_c   5.39
_cell_angle_alpha   101.75
_cell_angle_beta   90.0
_cell_angle_gamma   107.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe2Sb
_chemical_formula_sum   'Ga1 Ge2 Sb1'
_cell_volume   86.66
_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  0.67  0.79  1.0
  Ge  Ge1  1  0.0  0.22  0.95  1.0
  Ge  Ge2  1  0.0  0.96  0.75  1.0
  Sb  Sb3  1  0.0  0.46  0.34  1.0

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