data_GaOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaOs2Au
_chemical_formula_sum   'Ga1 Os2 Au1'
_cell_volume   62.0
_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  Ga1  1  0.0  0.0  0.93  1.0
  Os  Os2  1  0.42  0.42  0.05  1.0
  Os  Os3  1  0.0  0.0  0.73  1.0
  Au  Au0  1  0.42  0.42  0.9  1.0

data_GaOs2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaOs2Au
_chemical_formula_sum   'Ga2 Os4 Au2'
_cell_volume   124.01
_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  2  0.0  0.0  0.93  1.0
  Os  Os1  2  0.0  0.0  0.73  1.0
  Os  Os2  2  0.42  0.0  0.05  1.0
  Au  Au3  2  0.42  0.0  0.9  1.0

Ga Os Os Au
Ga Os Os Au 0 3 o o o 0 2 o o o 0 1 o o + 1 3 o o - 