data_[Ni24B9]
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 [R-3]
_cell_length_a [6.6582]
_cell_length_b [6.6582]
_cell_length_c [8.4343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ni8B3]
_chemical_formula_sum '[Ni24 B9]'
_cell_volume [323.8144]
_cell_formula_units_Z [3]
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  18  0.0419  0.7831  0.1146  1
  Ni  Ni1  6  0.0000  0.0000  0.3480  1
  B  B2  9  0.0000  0.5000  0.0000  1
]