data_[Ni6B1N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.3000]
_cell_length_b [5.3000]
_cell_length_c [3.3259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ni6BN2]
_chemical_formula_sum '[Ni6 B1 N2]'
_cell_volume [80.9078]
_cell_formula_units_Z [1]
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  3  0.0000  0.2739  0.5000  1
  Ni  Ni1  3  0.0000  0.6132  0.0000  1
  B  B2  1  0.0000  0.0000  0.0000  1
  N  N3  2  0.3333  0.6667  0.5000  1
]