data_GaIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIrOs2
_chemical_formula_sum   'Ga1 Ir1 Os2'
_cell_volume   58.16
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.73  0.0  0.0  1.0
  Os  Os2  1  0.37  0.06  0.37  1.0
  Os  Os3  1  0.37  0.94  0.37  1.0

data_GaIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   109.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIrOs2
_chemical_formula_sum   'Ga1 Ir1 Os2'
_cell_volume   58.16
_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  0.0  0.0  1.0
  Ir  Ir1  1  -0.0  0.73  0.0  1.0
  Os  Os2  1  0.37  0.37  0.06  1.0
  Os  Os3  1  0.37  0.37  0.94  1.0

Ga Ir Os Os
Ga Ir Os Os 0 1 - o o 2 3 o - o 