data_Fe3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   3.52
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pt
_chemical_formula_sum   'Fe3 Pt1'
_cell_volume   46.83
_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  0.29  0.76  0.15  1.0
  Fe  Fe1  1  0.29  0.76  0.02  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.59  1.0

data_Fe3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   3.52
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pt
_chemical_formula_sum   'Fe3 Pt1'
_cell_volume   46.83
_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  0.29  0.76  0.02  1.0
  Fe  Fe2  1  0.29  0.76  0.15  1.0
  Pt  Pt3  1  0.0  0.0  0.59  1.0

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