data_[La4H8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2851]
_cell_length_b [8.5462]
_cell_length_c [5.8683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaH2F6]
_chemical_formula_sum '[La4 H8 F24]'
_cell_volume [428.0177]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0000  0.1992  0.7500  1.0
  H  H1  8  0.1599  0.4832  0.5510  1.0
  F  F2  8  0.0828  0.0889  0.1864  1.0
  F  F3  8  0.1075  0.3686  0.5349  1.0
  F  F4  8  0.2099  0.3830  0.0526  1.0
]