data_Ru3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru3Pb
_chemical_formula_sum   'Ru3 Pb1'
_cell_volume   67.55
_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  Ru1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.47  0.85  0.09  1.0
  Ru  Ru3  1  0.47  0.85  0.99  1.0
  Pb  Pb0  1  0.0  0.0  0.54  1.0

data_Ru3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru3Pb
_chemical_formula_sum   'Ru3 Pb1'
_cell_volume   67.55
_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  Ru0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.47  0.85  0.09  1.0
  Ru  Ru2  1  0.47  0.85  0.99  1.0
  Pb  Pb3  1  0.0  0.0  0.54  1.0

Ru Ru Ru Pb
Ru Ru Ru Pb 0 2 - - - 0 2 o - - 0 1 - - o 1 2 o o - 3 3 + + o 3 3 o + o 3 3 + o o 