data_[Tb3Pr1Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6347]
_cell_length_b [5.6347]
_cell_length_c [8.6735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3PrZn8]
_chemical_formula_sum '[Tb3 Pr1 Zn8]'
_cell_volume [238.4859]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0548  1.0
  Tb  Tb1  1  0.6667  0.3333  0.5541  1.0
  Tb  Tb2  1  0.6667  0.3333  0.9409  1.0
  Pr  Pr3  1  0.0000  0.0000  0.4475  1.0
  Zn  Zn4  3  0.1677  0.3353  0.7543  1.0
  Zn  Zn5  3  0.5011  0.0022  0.2466  1.0
  Zn  Zn6  1  0.3333  0.6667  0.0016  1.0
  Zn  Zn7  1  0.3333  0.6667  0.4985  1.0
]