data_BiOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   131.59
_cell_angle_beta   131.59
_cell_angle_gamma   70.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOs2Au
_chemical_formula_sum   'Bi1 Os2 Au1'
_cell_volume   71.44
_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  0.08  0.07  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.08  0.0  0.07  1.0
  Au  Au0  1  0.0  0.0  0.13  1.0

data_BiOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.07
_cell_angle_alpha   114.21
_cell_angle_beta   114.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOs2Au
_chemical_formula_sum   'Bi1 Os2 Au1'
_cell_volume   71.44
_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  0.99  0.07  0.99  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.07  0.99  0.99  1.0
  Au  Au3  1  0.13  0.13  0.13  1.0

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