data_Bi2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   153.0
_cell_angle_beta   141.7
_cell_angle_gamma   47.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2RuPb
_chemical_formula_sum   'Bi2 Ru1 Pb1'
_cell_volume   106.43
_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  0.38  0.26  1.0
  Bi  Bi1  1  0.69  0.0  0.37  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.63  1.0

data_Bi2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.75
_cell_length_c   7.24
_cell_angle_alpha   109.15
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2RuPb
_chemical_formula_sum   'Bi2 Ru1 Pb1'
_cell_volume   106.43
_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  0.37  0.68  1.0
  Bi  Bi1  1  0.62  0.88  0.88  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.63  0.63  1.0

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