data_BiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   144.59
_cell_angle_beta   131.89
_cell_angle_gamma   61.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRu2
_chemical_formula_sum   'Bi1 Ru2'
_cell_volume   53.18
_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  0.0  0.0  0.72  1.0
  Ru  Ru2  1  0.0  0.0  0.88  1.0

data_BiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.07
_cell_length_c   4.99
_cell_angle_alpha   114.06
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRu2
_chemical_formula_sum   'Bi1 Ru2'
_cell_volume   53.18
_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  0.0  0.72  0.72  1.0
  Ru  Ru2  1  0.0  0.88  0.88  1.0

Bi Ru Ru