data_BiOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   145.19
_cell_angle_beta   129.48
_cell_angle_gamma   62.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOs2Au
_chemical_formula_sum   'Bi1 Os2 Au1'
_cell_volume   71.52
_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
  Bi  Bi1  1  0.0  0.34  0.35  1.0
  Os  Os2  1  0.0  0.0  0.02  1.0
  Os  Os3  1  0.64  0.0  0.32  1.0
  Au  Au0  1  0.0  0.0  0.66  1.0

data_BiOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.67
_cell_length_c   5.48
_cell_angle_alpha   115.26
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOs2Au
_chemical_formula_sum   'Bi1 Os2 Au1'
_cell_volume   71.52
_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
  Bi  Bi0  1  0.66  0.01  0.01  1.0
  Os  Os1  1  0.0  0.02  0.02  1.0
  Os  Os2  1  0.0  0.32  0.68  1.0
  Au  Au3  1  0.0  0.66  0.66  1.0

Bi Os Os Au
Bi Os Os Au 0 1 o o o 1 3 o o - 2 3 + o o 