data_Al2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.31
_cell_angle_alpha   105.12
_cell_angle_beta   105.12
_cell_angle_gamma   31.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Os
_chemical_formula_sum   'Al4 Os2'
_cell_volume   88.31
_cell_formula_units_Z   2
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  0.24  0.0  0.5  1.0
  Al  Al1  1  0.77  0.0  0.26  1.0
  Al  Al2  1  0.93  0.0  0.85  1.0
  Al  Al3  1  0.46  0.0  0.61  1.0
  Os  Os4  1  0.39  0.0  0.97  1.0
  Os  Os5  1  0.32  0.0  0.14  1.0

data_Al2Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.1
_cell_length_b   5.31
_cell_length_c   5.78
_cell_angle_alpha   105.12
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Os
_chemical_formula_sum   'Al4 Os2'
_cell_volume   88.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.21  0.42  1.0
  Al  Al1  2  0.0  0.44  0.89  1.0
  Os  Os2  2  0.0  0.09  0.96  1.0

Al Al Al Al Os Os