data_RuPb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   95.72
_cell_angle_beta   95.72
_cell_angle_gamma   143.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPb8
_chemical_formula_sum   'Ru1 Pb8'
_cell_volume   257.3
_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
  Ru  Ru8  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.58  0.42  0.42  1.0
  Pb  Pb1  1  0.42  0.58  0.42  1.0
  Pb  Pb2  1  0.22  0.0  0.0  1.0
  Pb  Pb3  1  0.58  0.58  0.42  1.0
  Pb  Pb4  1  0.0  0.22  0.0  1.0
  Pb  Pb5  1  0.57  0.57  0.0  1.0
  Pb  Pb6  1  0.09  0.0  0.0  1.0
  Pb  Pb7  1  0.0  0.09  0.0  1.0

data_RuPb8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   14.57
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RuPb8
_chemical_formula_sum   'Ru2 Pb16'
_cell_volume   514.6
_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
  Ru  Ru0  2  0.0  0.0  0.0  1.0
  Pb  Pb1  4  0.39  0.39  0.0  1.0
  Pb  Pb2  4  0.42  0.58  0.42  1.0
  Pb  Pb3  4  0.46  0.46  0.0  1.0
  Pb  Pb4  2  0.34  0.5  0.42  1.0
  Pb  Pb5  2  0.43  0.0  0.0  1.0

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