data_BiPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.89
_cell_angle_alpha   102.06
_cell_angle_beta   102.06
_cell_angle_gamma   38.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Ru
_chemical_formula_sum   'Bi1 Pd2 Ru1'
_cell_volume   70.27
_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  0.46  0.0  0.52  1.0
  Pd  Pd1  1  1.0  0.0  0.12  1.0
  Pd  Pd2  1  0.62  0.0  0.16  1.0
  Ru  Ru3  1  0.03  0.0  0.35  1.0

data_BiPd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.85
_cell_length_c   4.89
_cell_angle_alpha   102.06
_cell_angle_beta   90.0
_cell_angle_gamma   109.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd2Ru
_chemical_formula_sum   'Bi1 Pd2 Ru1'
_cell_volume   70.27
_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  0.54  0.48  1.0
  Pd  Pd1  1  0.0  0.0  0.88  1.0
  Pd  Pd2  1  0.0  0.38  0.84  1.0
  Ru  Ru3  1  0.0  0.97  0.65  1.0

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