data_Al2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   125.22
_cell_angle_beta   125.22
_cell_angle_gamma   81.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2OsCl
_chemical_formula_sum   'Al2 Os1 Cl1'
_cell_volume   63.28
_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  0.0  1.0
  Al  Al1  1  0.12  0.0  0.75  1.0
  Os  Os3  1  0.0  0.12  0.75  1.0
  Cl  Cl2  1  0.0  0.0  0.51  1.0

data_Al2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.62
_cell_angle_alpha   117.39
_cell_angle_beta   117.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2OsCl
_chemical_formula_sum   'Al2 Os1 Cl1'
_cell_volume   63.28
_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  0.0  1.0
  Al  Al1  1  0.25  0.0  0.37  1.0
  Os  Os2  1  0.37  0.12  0.37  1.0
  Cl  Cl3  1  0.49  0.0  0.49  1.0

Al Al Os Cl
Al Al Os Cl 0 2 o o - 0 1 o o - 1 2 o o o 1 3 o o o 2 3 o o o 