data_[Tb4Ni10B8]
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 [C2/m]
_cell_length_a [9.7840]
_cell_length_b [5.0194]
_cell_length_c [6.7192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ni5B4]
_chemical_formula_sum '[Tb4 Ni10 B8]'
_cell_volume [264.7830]
_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  0.2246  0.5000  0.6518  1.0
  Ni  Ni1  8  0.0721  0.2512  0.8689  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  B  B3  4  0.1029  0.5000  0.1472  1.0
  B  B4  4  0.2228  0.0000  0.8430  1.0
]