data_Fe3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   144.17
_cell_angle_beta   129.14
_cell_angle_gamma   63.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pt
_chemical_formula_sum   'Fe3 Pt1'
_cell_volume   52.16
_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  0.1  0.16  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.5  0.0  0.99  1.0
  Pt  Pt3  1  0.0  0.0  0.14  1.0

data_Fe3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.19
_cell_length_c   4.88
_cell_angle_alpha   115.43
_cell_angle_beta   107.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pt
_chemical_formula_sum   'Fe3 Pt1'
_cell_volume   52.16
_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  0.0  0.99  0.49  1.0
  Fe  Fe2  1  0.9  0.06  0.06  1.0
  Pt  Pt3  1  0.0  0.14  0.14  1.0

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