data_NaRuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRuPb2
_chemical_formula_sum   'Na1 Ru1 Pb2'
_cell_volume   101.51
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.49  1.0
  Pb  Pb1  1  0.22  0.0  0.8  1.0
  Pb  Pb2  1  0.22  0.0  0.18  1.0

data_NaRuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRuPb2
_chemical_formula_sum   'Na1 Ru1 Pb2'
_cell_volume   101.51
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.49  1.0
  Pb  Pb2  1  0.22  0.0  0.18  1.0
  Pb  Pb3  1  0.22  0.0  0.8  1.0

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