data_[Ba1Na2Hg1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4410]
_cell_length_b [7.9726]
_cell_length_c [5.5480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNa2HgF8]
_chemical_formula_sum '[Ba1 Na2 Hg1 F8]'
_cell_volume [196.0933]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1.0
  Na  Na1  2  0.5000  0.2379  0.5000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0856  0.2115  0.7593  1.0
  F  F4  2  0.3976  0.0000  0.2336  1.0
  F  F5  2  0.4947  0.5000  0.7342  1.0
]