data_[Y2B2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0311]
_cell_length_b [5.3687]
_cell_length_c [5.4915]
_cell_angle_alpha [105.0512]
_cell_angle_beta [110.0533]
_cell_angle_gamma [103.9141]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YBRu]
_chemical_formula_sum '[Y2 B2 Ru2]'
_cell_volume [100.4472]
_cell_formula_units_Z [2]
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  2  0.0132  0.8039  0.2038  1.0
  B  B1  2  0.2728  0.3865  0.3935  1.0
  Ru  Ru2  2  0.3075  0.7330  0.7344  1.0
]