data_BiRuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.35
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   94.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRuPb2
_chemical_formula_sum   'Bi1 Ru1 Pb2'
_cell_volume   100.93
_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
  Bi  Bi0  1  0.67  0.0  0.49  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.05  0.67  0.28  1.0
  Pb  Pb2  1  0.66  0.67  0.7  1.0

data_BiRuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.36
_cell_length_c   9.0
_cell_angle_alpha   94.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRuPb2
_chemical_formula_sum   'Bi1 Ru1 Pb2'
_cell_volume   100.93
_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
  Bi  Bi0  1  0.0  0.33  0.51  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.33  0.34  0.3  1.0
  Pb  Pb3  1  0.33  0.95  0.72  1.0

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