data_AlReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.97
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReOs2
_chemical_formula_sum   'Al1 Re1 Os2'
_cell_volume   58.47
_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  0.0  0.03  1.0
  Re  Re3  1  0.4  0.98  0.58  1.0
  Os  Os1  1  0.4  0.98  0.08  1.0
  Os  Os2  1  0.0  0.0  0.43  1.0

data_AlReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.97
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReOs2
_chemical_formula_sum   'Al1 Re1 Os2'
_cell_volume   58.47
_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  0.0  0.03  1.0
  Re  Re1  1  0.4  0.98  0.58  1.0
  Os  Os2  1  0.0  0.0  0.43  1.0
  Os  Os3  1  0.4  0.98  0.08  1.0

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