data_FePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   3.82
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2
_chemical_formula_sum   'Fe4 Pt8'
_cell_volume   168.63
_cell_formula_units_Z   4
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  0.64  0.95  0.53  1.0
  Fe  Fe1  1  0.07  0.86  0.46  1.0
  Fe  Fe2  1  0.35  0.95  0.68  1.0
  Fe  Fe3  1  0.78  0.86  0.61  1.0
  Pt  Pt4  1  0.62  0.95  0.97  1.0
  Pt  Pt5  1  0.73  0.95  0.73  1.0
  Pt  Pt6  1  0.98  0.86  0.65  1.0
  Pt  Pt7  1  0.1  0.86  0.04  1.0
  Pt  Pt8  1  0.33  0.95  0.1  1.0
  Pt  Pt9  1  0.44  0.95  0.49  1.0
  Pt  Pt10  1  0.69  0.86  0.42  1.0
  Pt  Pt11  1  0.81  0.86  0.18  1.0

data_FePt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.82
_cell_length_b   5.42
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   FePt2
_chemical_formula_sum   'Fe4 Pt8'
_cell_volume   168.63
_cell_formula_units_Z   4
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  0.05  0.93  0.96  1.0
  Fe  Fe1  2  0.05  0.64  0.11  1.0
  Pt  Pt2  2  0.05  0.02  0.15  1.0
  Pt  Pt3  2  0.05  0.9  0.4  1.0
  Pt  Pt4  2  0.05  0.62  0.53  1.0
  Pt  Pt5  2  0.05  0.73  0.92  1.0

Fe Fe Fe Fe Pt Pt Pt Pt Pt Pt Pt Pt