data_FePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   59.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2
_chemical_formula_sum   'Fe2 Pt4'
_cell_volume   88.35
_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  0.15  0.56  0.12  1.0
  Fe  Fe1  1  0.15  0.44  0.35  1.0
  Pt  Pt2  1  0.51  0.18  0.12  1.0
  Pt  Pt3  1  0.79  0.82  0.35  1.0
  Pt  Pt4  1  0.79  0.18  0.12  1.0
  Pt  Pt5  1  0.51  0.82  0.35  1.0

data_FePt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.47
_cell_length_b   4.76
_cell_length_c   4.78
_cell_angle_alpha   119.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   FePt2
_chemical_formula_sum   'Fe2 Pt4'
_cell_volume   88.35
_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  0.38  0.56  0.06  1.0
  Pt  Pt1  2  0.38  0.18  0.04  1.0
  Pt  Pt2  2  0.38  0.18  0.31  1.0

Fe Fe Pt Pt Pt Pt