data_[V2Ni16B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3998]
_cell_length_b [9.3758]
_cell_length_c [3.8288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V(Ni4B)2]
_chemical_formula_sum '[V2 Ni16 B4]'
_cell_volume [222.6821]
_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  0.0000  0.0000  0.5000  1.0
  Ni  Ni1  8  0.1958  0.1306  0.0844  1.0
  Ni  Ni2  4  0.0000  0.2517  0.5000  1.0
  Ni  Ni3  4  0.1117  0.5000  0.3023  1.0
  B  B4  4  0.0000  0.3189  0.0000  1.0
]