data_[B2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.8447]
_cell_length_b [3.5569]
_cell_length_c [4.1440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BRu]
_chemical_formula_sum '[B2 Ru2]'
_cell_volume [39.4357]
_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
[
  B  B0  2  0.4271  0.7500  0.8418  1.0
  Ru  Ru1  2  0.1426  0.7500  0.2734  1.0
]