data_Al2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.4
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2OsBr
_chemical_formula_sum   'Al2 Os1 Br1'
_cell_volume   88.01
_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  0.6  0.0  0.02  1.0
  Al  Al1  1  0.14  0.7  0.34  1.0
  Os  Os3  1  0.99  0.7  0.17  1.0
  Br  Br2  1  0.14  0.0  0.52  1.0

data_Al2OsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.4
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2OsBr
_chemical_formula_sum   'Al2 Os1 Br1'
_cell_volume   88.01
_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  0.14  0.7  0.34  1.0
  Al  Al1  1  0.6  0.0  0.02  1.0
  Os  Os2  1  0.99  0.7  0.17  1.0
  Br  Br3  1  0.14  0.0  0.52  1.0

Al Al Os Br
Al Al Os Br 0 2 o - o 1 2 - o o 1 3 o + o 