data_FeSiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiPt2
_chemical_formula_sum   'Fe1 Si1 Pt2'
_cell_volume   56.42
_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  0.72  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.36  0.14  0.39  1.0
  Pt  Pt2  1  0.36  0.86  0.39  1.0

data_FeSiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   107.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiPt2
_chemical_formula_sum   'Fe1 Si1 Pt2'
_cell_volume   56.42
_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  0.72  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.39  0.36  0.14  1.0
  Pt  Pt3  1  0.39  0.36  0.86  1.0

Fe Si Pt Pt
Fe Si Pt Pt 0 1 + o o 2 3 o - o 