data_[V2B4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [2.9318]
_cell_length_b [4.3383]
_cell_length_c [5.9723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [VB2Ru]
_chemical_formula_sum '[V2 B4 Ru2]'
_cell_volume [75.9632]
_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
[
  V  V0  2  0.5000  0.3685  0.3176  1.0
  B  B1  2  0.0000  0.3568  0.0325  1.0
  B  B2  2  0.5000  0.1468  0.9711  1.0
  Ru  Ru3  2  0.0000  0.1424  0.6788  1.0
]