data_FePb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   95.72
_cell_angle_beta   95.72
_cell_angle_gamma   143.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePb8
_chemical_formula_sum   'Fe1 Pb8'
_cell_volume   248.05
_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
  Pb  Pb1  1  0.6  0.4  0.39  1.0
  Pb  Pb2  1  0.4  0.6  0.39  1.0
  Pb  Pb3  1  0.29  0.0  0.0  1.0
  Pb  Pb4  1  0.6  0.6  0.39  1.0
  Pb  Pb5  1  0.0  0.29  0.0  1.0
  Pb  Pb6  1  0.49  0.49  0.0  1.0
  Pb  Pb7  1  0.89  0.0  0.0  1.0
  Pb  Pb8  1  0.0  0.89  0.0  1.0

data_FePb8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   14.39
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FePb8
_chemical_formula_sum   'Fe2 Pb16'
_cell_volume   496.1
_cell_formula_units_Z   2
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  0.0  1.0
  Pb  Pb1  4  0.0  0.4  0.61  1.0
  Pb  Pb2  4  0.06  0.06  -0.0  1.0
  Pb  Pb3  4  0.35  0.35  -0.0  1.0
  Pb  Pb4  2  0.01  0.5  0.0  1.0
  Pb  Pb5  2  0.4  0.0  0.61  1.0

Fe Pb Pb Pb Pb Pb Pb Pb Pb
Fe Pb Pb Pb Pb Pb Pb Pb Pb 0 7 - o o 0 8 o - o 0 6 o o o 0 6 - - o 1 4 o o o 2 4 o o o 3 8 o - o 3 6 o o o 4 6 o o o 5 7 - o o 5 6 o o o 6 7 - o o 6 7 o + o 6 8 o - o 6 8 + o o 