data_[Cs1Nb1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0467]
_cell_length_b [5.1669]
_cell_length_c [8.5174]
_cell_angle_alpha [100.0756]
_cell_angle_beta [90.1506]
_cell_angle_gamma [110.4234]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNbH2F8]
_chemical_formula_sum '[Cs1 Nb1 H2 F8]'
_cell_volume [204.4382]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4698  0.6828  0.7126  1.0
  F  F3  2  0.2205  0.7617  0.9849  1.0
  F  F4  2  0.2240  0.1942  0.8435  1.0
  F  F5  2  0.2595  0.2583  0.1806  1.0
  F  F6  2  0.3437  0.6619  0.6205  1.0
]