data_BiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.37
_cell_length_c   3.08
_cell_angle_alpha   84.24
_cell_angle_beta   72.29
_cell_angle_gamma   23.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRu2
_chemical_formula_sum   'Bi1 Ru2'
_cell_volume   58.52
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.51  0.69  0.62  1.0
  Ru  Ru2  1  0.51  0.69  0.81  1.0

data_BiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.08
_cell_length_c   7.37
_cell_angle_alpha   84.24
_cell_angle_beta   78.18
_cell_angle_gamma   60.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRu2
_chemical_formula_sum   'Bi1 Ru2'
_cell_volume   58.52
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.31  0.68  0.2  1.0
  Ru  Ru2  1  0.31  0.87  0.2  1.0

Bi Ru Ru