data_[Nd2H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5107]
_cell_length_b [7.2303]
_cell_length_c [5.0277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdHF4]
_chemical_formula_sum '[Nd2 H2 F8]'
_cell_volume [161.1204]
_cell_formula_units_Z [2]
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
[
  Nd  Nd0  2  0.3849  0.2500  0.3834  1
  H  H1  2  0.0529  0.7500  0.1704  1
  F  F2  4  0.3373  0.5637  0.2741  1
  F  F3  2  0.1386  0.7500  0.7202  1
  F  F4  2  0.1672  0.2500  0.8524  1
]