data_AlBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.07
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   104.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiOs2
_chemical_formula_sum   'Al1 Bi1 Os2'
_cell_volume   71.17
_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
  Bi  Bi1  1  0.28  0.0  0.87  1.0
  Os  Os2  1  0.72  0.03  0.61  1.0
  Os  Os3  1  0.88  0.03  0.12  1.0

data_AlBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.07
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   104.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiOs2
_chemical_formula_sum   'Al1 Bi1 Os2'
_cell_volume   71.17
_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
  Bi  Bi1  1  0.28  0.0  0.87  1.0
  Os  Os2  1  0.72  0.03  0.61  1.0
  Os  Os3  1  0.88  0.03  0.12  1.0

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