data_[Li1Sn1B1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9527]
_cell_length_b [5.2769]
_cell_length_c [5.3908]
_cell_angle_alpha [84.1451]
_cell_angle_beta [84.4208]
_cell_angle_gamma [66.1256]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiSnBF6]
_chemical_formula_sum '[Li1 Sn1 B1 F6]'
_cell_volume [127.9198]
_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
[
  Li  Li0  1  0.3888  0.2817  0.4715  1.0
  Sn  Sn1  1  0.0191  0.0249  0.0516  1.0
  B  B2  1  0.7655  0.6620  0.5900  1.0
  F  F3  1  0.0136  0.4943  0.7320  1.0
  F  F4  1  0.1517  0.0966  0.3782  1.0
  F  F5  1  0.5628  0.5385  0.6042  1.0
  F  F6  1  0.5900  0.2839  0.1535  1.0
  F  F7  1  0.6333  0.9306  0.6832  1.0
  F  F8  1  0.8751  0.6877  0.3360  1.0
]