data_FePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   147.02
_cell_angle_beta   133.77
_cell_angle_gamma   57.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2
_chemical_formula_sum   'Fe1 Pt2'
_cell_volume   44.04
_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
  Pt  Pt1  1  0.0  0.0  0.59  1.0
  Pt  Pt2  1  0.0  0.0  0.87  1.0

data_FePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.8
_cell_length_c   4.83
_cell_angle_alpha   113.12
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2
_chemical_formula_sum   'Fe1 Pt2'
_cell_volume   44.04
_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
  Pt  Pt1  1  0.0  0.59  0.59  1.0
  Pt  Pt2  1  0.0  0.87  0.87  1.0

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