data_OsPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56
_cell_length_b   9.56
_cell_length_c   9.56
_cell_angle_alpha   17.06
_cell_angle_beta   17.06
_cell_angle_gamma   17.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPtAu2
_chemical_formula_sum   'Os1 Pt1 Au2'
_cell_volume   65.53
_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
  Os  Os2  1  0.0  0.0  0.03  1.0
  Pt  Pt3  1  0.0  0.0  0.33  1.0
  Au  Au0  1  0.0  0.0  0.06  1.0
  Au  Au1  1  0.0  0.0  0.96  1.0

data_OsPtAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.83
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   OsPtAu2
_chemical_formula_sum   'Os2 Pt2 Au4'
_cell_volume   131.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Os  Os0  2  0.0  0.0  0.97  1.0
  Pt  Pt1  2  0.0  0.0  0.67  1.0
  Au  Au2  2  0.0  0.0  0.04  1.0
  Au  Au3  2  0.0  0.0  0.94  1.0

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