data_BiRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.76
_cell_angle_alpha   102.09
_cell_angle_beta   102.09
_cell_angle_gamma   42.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRu2Pb
_chemical_formula_sum   'Bi1 Ru2 Pb1'
_cell_volume   79.48
_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  0.61  0.0  0.81  1.0
  Ru  Ru2  1  0.18  0.0  0.17  1.0
  Ru  Ru3  1  0.04  0.0  0.45  1.0
  Pb  Pb1  1  0.0  0.0  0.0  1.0

data_BiRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.57
_cell_length_c   5.76
_cell_angle_alpha   102.09
_cell_angle_beta   90.0
_cell_angle_gamma   111.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRu2Pb
_chemical_formula_sum   'Bi1 Ru2 Pb1'
_cell_volume   79.48
_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  0.39  0.19  1.0
  Ru  Ru1  1  0.0  0.82  0.83  1.0
  Ru  Ru2  1  0.0  0.96  0.55  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

Bi Ru Ru Pb