data_Fe3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pt2
_chemical_formula_sum   'Fe3 Pt2'
_cell_volume   72.7
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.03  0.17  0.15  1.0
  Fe  Fe2  1  0.0  0.35  0.93  1.0
  Pt  Pt3  1  0.03  0.17  0.74  1.0
  Pt  Pt4  1  0.0  0.35  0.34  1.0

data_Fe3Pt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pt2
_chemical_formula_sum   'Fe3 Pt2'
_cell_volume   72.7
_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  0.35  0.93  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.03  0.17  0.15  1.0
  Pt  Pt3  1  -0.0  0.35  0.34  1.0
  Pt  Pt4  1  0.03  0.17  0.74  1.0

Fe Fe Fe Pt Pt
Fe Fe Fe Pt Pt 0 1 o o o 0 2 o o - 0 3 o o - 1 2 o o - 1 4 o o o 2 3 o o o 