data_[Ba1Na2In1F8]
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
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8693]
_cell_length_b [7.7730]
_cell_length_c [5.2688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNa2InF8]
_chemical_formula_sum '[Ba1 Na2 In1 F8]'
_cell_volume [199.3713]
_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  0.2218  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1236  0.2072  0.2376  1.0
  F  F4  2  0.3615  0.0000  0.7776  1.0
  F  F5  2  0.4697  0.5000  0.7294  1.0
]