data_[Na2V1In1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8453]
_cell_length_b [5.8496]
_cell_length_c [6.3389]
_cell_angle_alpha [89.9142]
_cell_angle_beta [62.5879]
_cell_angle_gamma [60.4315]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2VInF6]
_chemical_formula_sum '[Na2 V1 In1 F6]'
_cell_volume [160.0415]
_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  1  0.9391  0.5290  0.5906  1.0
  Na  Na1  1  0.9901  0.0061  0.0171  1.0
  V  V2  1  0.3440  0.3300  0.9809  1.0
  In  In3  1  0.4083  0.7966  0.3896  1.0
  F  F4  1  0.1517  0.1617  0.2136  1.0
  F  F5  1  0.1818  0.2728  0.7889  1.0
  F  F6  1  0.4796  0.3682  0.2076  1.0
  F  F7  1  0.4818  0.5449  0.7858  1.0
  F  F8  1  0.7552  0.9630  0.7961  1.0
  F  F9  1  0.9452  0.6892  0.2147  1.0
]