data_SrAl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   7.42
_cell_length_c   7.42
_cell_angle_alpha   155.85
_cell_angle_beta   147.82
_cell_angle_gamma   40.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Os
_chemical_formula_sum   'Sr1 Al2 Os1'
_cell_volume   88.97
_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
  Sr  Sr3  1  0.0  0.0  0.54  1.0
  Al  Al0  1  0.0  0.06  0.79  1.0
  Al  Al1  1  0.0  0.0  0.78  1.0
  Os  Os2  1  0.55  0.0  0.74  1.0

data_SrAl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.12
_cell_length_c   7.42
_cell_angle_alpha   106.09
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Os
_chemical_formula_sum   'Sr1 Al2 Os1'
_cell_volume   88.97
_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
  Sr  Sr0  1  0.0  0.54  0.54  1.0
  Al  Al1  1  0.0  0.78  0.78  1.0
  Al  Al2  1  0.94  0.73  0.73  1.0
  Os  Os3  1  0.0  0.74  0.19  1.0

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