data_[V4Co4B12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0053]
_cell_length_b [17.4673]
_cell_length_c [2.9752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [VCoB3]
_chemical_formula_sum '[V4 Co4 B12]'
_cell_volume [156.1838]
_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  0.4256  0.7500  1
  Co  Co1  4  0.0000  0.2961  0.2500  1
  B  B2  4  0.0000  0.0250  0.7500  1
  B  B3  4  0.0000  0.1246  0.7500  1
  B  B4  4  0.0000  0.1792  0.2500  1
]