data_[Tb6Be3Si9Ni36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1829]
_cell_length_b [6.1829]
_cell_length_c [22.6173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Be(SiNi4)3]
_chemical_formula_sum '[Tb6 Be3 Si9 Ni36]'
_cell_volume [748.7905]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.3445  1
  Be  Be1  3  0.0000  0.0000  0.0000  1
  Si  Si2  9  0.0000  0.5000  0.5000  1
  Ni  Ni3  18  0.0600  0.5300  0.6010  1
  Ni  Ni4  18  0.0642  0.5321  0.1199  1
]