data_OsPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   150.64
_cell_angle_beta   129.36
_cell_angle_gamma   59.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPtAu2
_chemical_formula_sum   'Os1 Pt1 Au2'
_cell_volume   64.86
_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  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.83  1.0
  Au  Au0  1  0.41  0.0  0.4  1.0
  Au  Au1  1  0.0  0.38  0.43  1.0

data_OsPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.76
_cell_length_c   5.57
_cell_angle_alpha   115.32
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPtAu2
_chemical_formula_sum   'Os1 Pt1 Au2'
_cell_volume   64.86
_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  Os0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.17  0.17  0.17  1.0
  Au  Au2  1  0.01  0.6  0.01  1.0
  Au  Au3  1  0.57  0.95  0.95  1.0

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