data_Fe3Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Pt5
_chemical_formula_sum   'Fe3 Pt5'
_cell_volume   116.28
_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
  Fe  Fe1  1  0.86  0.95  0.93  1.0
  Fe  Fe2  1  0.86  0.05  0.93  1.0
  Pt  Pt3  1  0.86  0.0  0.0  1.0
  Pt  Pt4  1  0.93  0.95  0.0  1.0
  Pt  Pt5  1  0.93  0.05  0.0  1.0
  Pt  Pt6  1  0.83  0.0  0.93  1.0
  Pt  Pt7  1  0.89  0.0  0.93  1.0

data_Fe3Pt5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.86
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Fe3Pt5
_chemical_formula_sum   'Fe3 Pt5'
_cell_volume   116.29
_cell_formula_units_Z   1
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  0.93  0.05  0.86  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.05  0.93  1.0
  Pt  Pt3  1  0.0  0.0  0.86  1.0
  Pt  Pt4  1  0.93  0.0  0.83  1.0
  Pt  Pt5  1  0.93  0.0  0.89  1.0

Fe Fe Fe Pt Pt Pt Pt Pt