data_[Tb18Zr6Si36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.1581]
_cell_length_b [11.1581]
_cell_length_c [11.0757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Tb3ZrSi6]
_chemical_formula_sum '[Tb18 Zr6 Si36]'
_cell_volume [1194.2163]
_cell_formula_units_Z [6]
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  18  0.0000  0.4356  0.2500  1
  Zr  Zr1  6  0.0000  0.0000  0.0000  1
  Si  Si2  36  0.0705  0.2155  0.3389  1
]