data_Os2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   132.58
_cell_angle_beta   132.58
_cell_angle_gamma   69.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2RuPt
_chemical_formula_sum   'Os2 Ru1 Pt1'
_cell_volume   57.87
_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  0.92  0.96  1.0
  Os  Os1  1  0.92  0.0  0.96  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.93  1.0

data_Os2RuPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   124.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Os2RuPt
_chemical_formula_sum   'Os4 Ru2 Pt2'
_cell_volume   115.73
_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  4  0.04  0.04  0.04  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.93  1.0

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