data_Fe2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.52
_cell_angle_alpha   100.09
_cell_angle_beta   100.09
_cell_angle_gamma   33.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RuPt
_chemical_formula_sum   'Fe2 Ru1 Pt1'
_cell_volume   50.67
_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
  Fe  Fe0  1  0.2  0.0  0.44  1.0
  Fe  Fe1  1  0.26  0.0  0.05  1.0
  Ru  Ru3  1  0.57  0.0  0.45  1.0
  Pt  Pt2  1  0.91  0.0  0.17  1.0

data_Fe2RuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.52
_cell_length_c   4.53
_cell_angle_alpha   100.09
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RuPt
_chemical_formula_sum   'Fe2 Ru1 Pt1'
_cell_volume   50.67
_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
  Fe  Fe0  1  0.0  0.05  0.26  1.0
  Fe  Fe1  1  0.0  0.44  0.2  1.0
  Ru  Ru2  1  0.0  0.45  0.57  1.0
  Pt  Pt3  1  0.0  0.17  0.91  1.0

Fe Fe Ru Pt
Fe Fe Ru Pt 0 3 - o o 0 2 o o o 0 1 o o o 1 3 - o o 1 2 o o o 