data_[Dy1Pd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [5.3333]
_cell_length_b [5.4198]
_cell_length_c [5.8013]
_cell_angle_alpha [89.9602]
_cell_angle_beta [63.3619]
_cell_angle_gamma [61.9367]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyPdF6]
_chemical_formula_sum '[Dy1 Pd1 F6]'
_cell_volume [127.4846]
_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
[
  Dy  Dy0  1  0.0000  0.5000  0.5000  1.0
  Pd  Pd1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1262  0.1107  0.2396  1.0
  F  F3  2  0.1360  0.2315  0.7617  1.0
  F  F4  2  0.4948  0.6187  0.7469  1.0
]