data_[Tb1Pd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3518]
_cell_length_b [5.4245]
_cell_length_c [5.8217]
_cell_angle_alpha [89.9464]
_cell_angle_beta [63.3234]
_cell_angle_gamma [61.9527]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbPdF6]
_chemical_formula_sum '[Tb1 Pd1 F6]'
_cell_volume [128.4630]
_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  0.5000  0.5000  1.0
  Pd  Pd1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1261  0.1093  0.2388  1.0
  F  F3  2  0.1357  0.2312  0.7630  1.0
  F  F4  2  0.4935  0.6193  0.7472  1.0
]