data_[Tb6Ni14B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0936]
_cell_length_b [5.0936]
_cell_length_c [14.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Tb3Ni7B2]
_chemical_formula_sum '[Tb6 Ni14 B4]'
_cell_volume [321.6895]
_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
[
  Tb  Tb0  4  0.3333  0.6667  0.5301  1
  Tb  Tb1  2  0.3333  0.6667  0.7500  1
  Ni  Ni2  12  0.1651  0.3302  0.1491  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  B  B4  2  0.0000  0.0000  0.2500  1
  B  B5  2  0.3333  0.6667  0.2500  1
]