data_Fe5Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Pt
_chemical_formula_sum   'Fe5 Pt1'
_cell_volume   67.0
_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  0.82  0.0  0.99  1.0
  Fe  Fe1  1  0.79  0.37  0.99  1.0
  Fe  Fe2  1  0.59  0.44  0.99  1.0
  Fe  Fe3  1  0.2  0.27  0.0  1.0
  Fe  Fe4  1  0.0  0.54  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

data_Fe5Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.41
_cell_length_b   3.98
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Fe5Pt
_chemical_formula_sum   'Fe5 Pt1'
_cell_volume   67.0
_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  1  0.0  0.0  0.54  1.0
  Fe  Fe1  1  0.2  0.0  0.27  1.0
  Fe  Fe2  1  0.59  0.0  0.44  1.0
  Fe  Fe3  1  0.79  0.0  0.37  1.0
  Fe  Fe4  1  0.82  0.0  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

Fe Fe Fe Fe Fe Pt
Fe Fe Fe Fe Fe Pt 0 5 + o + 1 4 + o + 1 2 o o o 3 5 o o o 