data_RuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPb2
_chemical_formula_sum   'Ru4 Pb8'
_cell_volume   330.4
_cell_formula_units_Z   4
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  0.11  0.8  0.74  1.0
  Ru  Ru9  1  0.0  0.6  0.66  1.0
  Ru  Ru10  1  0.0  0.6  0.09  1.0
  Ru  Ru11  1  0.11  0.8  0.18  1.0
  Pb  Pb0  1  0.0  0.0  0.92  1.0
  Pb  Pb1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.48  0.45  0.37  1.0
  Pb  Pb3  1  0.63  0.94  0.46  1.0
  Pb  Pb4  1  0.52  0.45  0.37  1.0
  Pb  Pb5  1  0.0  0.89  0.37  1.0
  Pb  Pb6  1  0.11  0.51  0.46  1.0
  Pb  Pb7  1  0.59  0.94  0.46  1.0

data_RuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPb2
_chemical_formula_sum   'Ru4 Pb8'
_cell_volume   330.4
_cell_formula_units_Z   4
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  Ru0  1  -0.0  0.6  0.09  1.0
  Ru  Ru1  1  -0.0  0.6  0.66  1.0
  Ru  Ru2  1  0.11  0.8  0.18  1.0
  Ru  Ru3  1  0.11  0.8  0.74  1.0
  Pb  Pb4  1  -0.0  0.89  0.37  1.0
  Pb  Pb5  1  0.0  0.0  0.0  1.0
  Pb  Pb6  1  0.0  0.0  0.92  1.0
  Pb  Pb7  1  0.11  0.51  0.46  1.0
  Pb  Pb8  1  0.48  0.45  0.37  1.0
  Pb  Pb9  1  0.52  0.45  0.37  1.0
  Pb  Pb10  1  0.59  0.94  0.46  1.0
  Pb  Pb11  1  0.63  0.94  0.46  1.0

Ru Ru Ru Ru Pb Pb Pb Pb Pb Pb Pb Pb