data_YBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   137.09
_cell_angle_beta   137.09
_cell_angle_gamma   62.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiRu2
_chemical_formula_sum   'Y1 Bi1 Ru2'
_cell_volume   77.23
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.02  0.0  0.36  1.0
  Ru  Ru1  1  0.0  0.0  0.73  1.0
  Ru  Ru2  1  0.0  0.02  0.36  1.0

data_YBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.52
_cell_angle_alpha   111.45
_cell_angle_beta   111.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiRu2
_chemical_formula_sum   'Y1 Bi1 Ru2'
_cell_volume   77.23
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.64  0.0  0.66  1.0
  Ru  Ru2  1  0.27  0.0  0.27  1.0
  Ru  Ru3  1  0.66  0.02  0.66  1.0

Y Bi Ru Ru
Y Bi Ru Ru 0 2 o o - 1 3 o o o 