data_BaGa2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.08
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   97.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Os
_chemical_formula_sum   'Ba1 Ga2 Os1'
_cell_volume   93.3
_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
  Ba  Ba0  1  0.14  0.0  0.45  1.0
  Ga  Ga1  1  0.7  0.04  0.45  1.0
  Ga  Ga2  1  0.67  0.0  0.34  1.0
  Os  Os3  1  0.1  0.04  0.42  1.0

data_BaGa2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.08
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   97.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Os
_chemical_formula_sum   'Ba1 Ga2 Os1'
_cell_volume   93.3
_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
  Ba  Ba0  1  0.14  0.0  0.45  1.0
  Ga  Ga1  1  0.67  0.0  0.34  1.0
  Ga  Ga2  1  0.7  0.04  0.45  1.0
  Os  Os3  1  0.1  0.04  0.42  1.0

Ba Ga Ga Os
Ba Ga Ga Os 0 3 o o o 1 2 o o o 