data_[Na2La1Hg1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0195]
_cell_length_b [5.5848]
_cell_length_c [8.0944]
_cell_angle_alpha [87.6969]
_cell_angle_beta [89.8627]
_cell_angle_gamma [87.0802]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2LaHgF8]
_chemical_formula_sum '[Na2 La1 Hg1 F8]'
_cell_volume [181.3219]
_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
[
  Na  Na0  2  0.4955  0.5053  0.7552  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0273  0.2683  0.2706  1.0
  F  F4  2  0.0441  0.2121  0.7746  1.0
  F  F5  2  0.4298  0.7626  0.9866  1.0
  F  F6  2  0.4984  0.2391  0.5303  1.0
]