data_FePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   3.59
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt
_chemical_formula_sum   'Fe2 Pt2'
_cell_volume   52.71
_cell_formula_units_Z   2
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  0.33  1.0
  Fe  Fe1  1  0.33  0.8  0.21  1.0
  Pt  Pt2  1  0.0  0.0  0.83  1.0
  Pt  Pt3  1  0.33  0.8  0.71  1.0

data_FePt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.65
_cell_length_b   3.59
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   FePt
_chemical_formula_sum   'Fe2 Pt2'
_cell_volume   52.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.4  0.94  1.0
  Pt  Pt1  2  0.16  0.4  0.44  1.0

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