data_[Tb12Zn42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3925]
_cell_length_b [5.3925]
_cell_length_c [38.9794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Zn7]
_chemical_formula_sum '[Tb12 Zn42]'
_cell_volume [981.6312]
_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  6  0.0000  0.0000  0.0513  1.0
  Tb  Tb1  6  0.0000  0.0000  0.1487  1.0
  Zn  Zn2  18  0.0045  0.5023  0.8900  1.0
  Zn  Zn3  9  0.0000  0.5000  0.0000  1.0
  Zn  Zn4  6  0.0000  0.0000  0.2787  1.0
  Zn  Zn5  6  0.0000  0.0000  0.3888  1.0
  Zn  Zn6  3  -0.0000  -0.0000  0.5000  1.0
]