data_[V4B12Ru4]
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 [Cmcm]
_cell_length_a [3.2018]
_cell_length_b [18.3819]
_cell_length_c [2.9730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [VB3Ru]
_chemical_formula_sum '[V4 B12 Ru4]'
_cell_volume [174.9720]
_cell_formula_units_Z [4]
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  4  0.0000  0.0685  0.7500  1.0
  B  B1  4  0.0000  0.3264  0.2500  1.0
  B  B2  4  0.0000  0.3807  0.7500  1.0
  B  B3  4  0.0000  0.4749  0.7500  1.0
  Ru  Ru4  4  0.0000  0.1993  0.2500  1.0
]