data_AlGaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.51
_cell_angle_alpha   108.93
_cell_angle_beta   108.93
_cell_angle_gamma   33.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaOs2
_chemical_formula_sum   'Al1 Ga1 Os2'
_cell_volume   57.64
_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
  Al  Al0  1  1.0  0.0  0.42  1.0
  Ga  Ga1  1  0.71  0.0  0.76  1.0
  Os  Os2  1  0.28  0.0  0.29  1.0
  Os  Os3  1  0.44  0.0  0.89  1.0

data_AlGaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.51
_cell_length_c   4.96
_cell_angle_alpha   108.93
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaOs2
_chemical_formula_sum   'Al1 Ga1 Os2'
_cell_volume   57.64
_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
  Al  Al0  1  0.0  0.42  1.0  1.0
  Ga  Ga1  1  0.0  0.76  0.71  1.0
  Os  Os2  1  0.0  0.29  0.28  1.0
  Os  Os3  1  0.0  0.89  0.44  1.0

Al Ga Os Os
Al Ga Os Os 0 2 + o o 1 3 o o o 