data_[Ba1Li1Sb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4894]
_cell_length_b [5.9037]
_cell_length_c [6.0753]
_cell_angle_alpha [60.9703]
_cell_angle_beta [89.9561]
_cell_angle_gamma [89.5962]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaLiSbF6]
_chemical_formula_sum '[Ba1 Li1 Sb1 F6]'
_cell_volume [140.7852]
_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  0.8716  0.0021  0.0067  1.0
  Li  Li1  1  0.4450  0.3263  0.3433  1.0
  Sb  Sb2  1  0.4412  0.6671  0.6654  1.0
  F  F3  1  0.3255  0.0406  0.6890  1.0
  F  F4  1  0.3347  0.6835  0.2687  1.0
  F  F5  1  0.3366  0.2734  0.0509  1.0
  F  F6  1  0.7386  0.9563  0.4479  1.0
  F  F7  1  0.7474  0.4433  0.5957  1.0
  F  F8  1  0.7593  0.6074  0.9323  1.0
]