data_RuPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46
_cell_length_b   10.46
_cell_length_c   10.46
_cell_angle_alpha   18.72
_cell_angle_beta   18.72
_cell_angle_gamma   18.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPb3
_chemical_formula_sum   'Ru1 Pb3'
_cell_volume   103.07
_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  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.24  1.0
  Pb  Pb1  1  0.0  0.0  0.42  1.0
  Pb  Pb2  1  0.0  0.0  0.59  1.0

data_RuPb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   3.4
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RuPb3
_chemical_formula_sum   'Ru2 Pb6'
_cell_volume   206.15
_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  2  -0.0  0.0  0.76  1.0
  Pb  Pb2  2  -0.0  0.0  0.41  1.0
  Pb  Pb3  2  -0.0  0.0  0.58  1.0

Ru Pb Pb Pb