data_[Ni20B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2861]
_cell_length_b [4.4982]
_cell_length_c [5.1331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni5B2]
_chemical_formula_sum '[Ni20 B8]'
_cell_volume [258.3739]
_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
[
  Ni  Ni0  8  0.0930  0.1095  0.9257  1.0
  Ni  Ni1  8  0.2182  0.4193  0.3142  1.0
  Ni  Ni2  4  0.0000  0.4162  0.2500  1.0
  B  B3  8  0.1119  0.2972  0.5805  1.0
]