data_FePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt
_chemical_formula_sum   'Fe4 Pt4'
_cell_volume   111.19
_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  0.0  0.0  0.03  1.0
  Fe  Fe1  1  0.0  0.0  0.08  1.0
  Fe  Fe2  1  0.99  0.15  0.08  1.0
  Fe  Fe3  1  0.0  0.3  0.03  1.0
  Pt  Pt4  1  0.99  0.15  0.7  1.0
  Pt  Pt5  1  0.0  0.3  0.75  1.0
  Pt  Pt6  1  0.0  0.3  0.41  1.0
  Pt  Pt7  1  0.99  0.15  0.36  1.0

data_FePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   6.89
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FePt
_chemical_formula_sum   'Fe8 Pt8'
_cell_volume   222.39
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.03  1.0
  Fe  Fe1  2  0.0  0.0  0.08  1.0
  Fe  Fe2  2  0.15  0.0  0.08  1.0
  Fe  Fe3  2  0.3  0.0  0.03  1.0
  Pt  Pt4  2  0.15  0.0  0.36  1.0
  Pt  Pt5  2  0.15  0.0  0.7  1.0
  Pt  Pt6  2  0.3  0.0  0.41  1.0
  Pt  Pt7  2  0.3  0.0  0.75  1.0

Fe Fe Fe Fe Pt Pt Pt Pt