data_[Ba2Na4Ni2F12]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9209]
_cell_length_b [5.9635]
_cell_length_c [10.2841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaNa2NiF6]
_chemical_formula_sum '[Ba2 Na4 Ni2 F12]'
_cell_volume [304.4318]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1.0
  Na  Na1  4  0.2234  0.0597  0.2325  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0597  0.2000  0.9322  1.0
  F  F4  4  0.1927  0.6507  0.9109  1.0
  F  F5  4  0.3624  0.0747  0.7135  1.0
]