data_YBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   4.87
_cell_angle_alpha   110.75
_cell_angle_beta   110.75
_cell_angle_gamma   34.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiRu2
_chemical_formula_sum   'Y1 Bi1 Ru2'
_cell_volume   79.99
_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
  Y  Y3  1  0.53  0.0  0.25  1.0
  Bi  Bi0  1  0.36  0.0  0.05  1.0
  Ru  Ru1  1  0.87  0.0  0.29  1.0
  Ru  Ru2  1  0.47  0.0  0.72  1.0

data_YBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.87
_cell_length_c   5.6
_cell_angle_alpha   110.75
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiRu2
_chemical_formula_sum   'Y1 Bi1 Ru2'
_cell_volume   79.99
_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
  Y  Y0  1  0.0  0.25  0.53  1.0
  Bi  Bi1  1  0.0  0.05  0.36  1.0
  Ru  Ru2  1  0.0  0.29  0.87  1.0
  Ru  Ru3  1  0.0  0.72  0.47  1.0

Y Bi Ru Ru