data_[Ba1Na2Hf1F8]
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
  Hf  1.3000  1.5500  0.8500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5784]
_cell_length_b [7.7993]
_cell_length_c [5.5779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNa2HfF8]
_chemical_formula_sum '[Ba1 Na2 Hf1 F8]'
_cell_volume [199.1430]
_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  0.2566  0.5000  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1461  0.1938  0.2117  1.0
  F  F4  2  0.3401  0.0000  0.7786  1.0
  F  F5  2  0.4573  0.5000  0.7405  1.0
]