data_Fe7Pt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19
_cell_length_b   9.19
_cell_length_c   9.19
_cell_angle_alpha   30.59
_cell_angle_beta   30.59
_cell_angle_gamma   30.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Pt6
_chemical_formula_sum   'Fe7 Pt6'
_cell_volume   178.32
_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  0.61  0.73  1.0
  Fe  Fe1  1  0.21  0.7  0.73  1.0
  Fe  Fe2  1  0.79  0.7  0.73  1.0
  Fe  Fe3  1  0.0  0.39  0.53  1.0
  Fe  Fe4  1  0.21  0.3  0.53  1.0
  Fe  Fe5  1  0.79  0.3  0.53  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0
  Pt  Pt7  1  0.0  0.0  0.42  1.0
  Pt  Pt8  1  0.0  0.0  0.85  1.0
  Pt  Pt9  1  0.0  0.0  0.18  1.0
  Pt  Pt10  1  0.0  0.0  0.09  1.0
  Pt  Pt11  1  0.0  0.0  0.88  1.0
  Pt  Pt12  1  0.0  0.0  0.38  1.0

data_Fe7Pt6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   9.19
_cell_angle_alpha   74.71
_cell_angle_beta   74.71
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Pt6
_chemical_formula_sum   'Fe7 Pt6'
_cell_volume   178.32
_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  0.3  0.27  0.64  1.0
  Fe  Fe2  1  0.3  0.27  0.22  1.0
  Fe  Fe3  1  0.39  0.27  0.34  1.0
  Fe  Fe4  1  0.61  0.47  0.93  1.0
  Fe  Fe5  1  0.7  0.47  0.63  1.0
  Fe  Fe6  1  0.7  0.47  0.04  1.0
  Pt  Pt7  1  0.0  0.12  0.88  1.0
  Pt  Pt8  1  0.0  0.15  0.85  1.0
  Pt  Pt9  1  0.0  0.58  0.42  1.0
  Pt  Pt10  1  0.0  0.62  0.38  1.0
  Pt  Pt11  1  0.0  0.82  0.18  1.0
  Pt  Pt12  1  0.0  0.91  0.09  1.0

Fe Fe Fe Fe Fe Fe Fe Pt Pt Pt Pt Pt Pt
Fe Fe Fe Fe Fe Fe Fe Pt Pt Pt Pt Pt Pt 0 2 - o o 0 1 o o o 1 12 o + o 1 7 o + o 1 5 - + o 1 5 o o o 1 11 o + o 1 8 o + o 3 4 o o o 3 5 - o o 5 12 + o o 5 7 + o o 5 11 + o o 5 8 + o o 6 10 o o o 7 12 o o o 8 11 o o o 9 10 o o o 