data_[Li4Se4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5766]
_cell_length_b [6.8615]
_cell_length_c [8.0449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiSeF5]
_chemical_formula_sum '[Li4 Se4 F20]'
_cell_volume [433.8284]
_cell_formula_units_Z [4]
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  4  0.4789  0.1533  0.2353  1
  Se  Se1  4  0.2497  0.2671  0.5037  1
  F  F2  4  0.0811  0.1752  0.3128  1
  F  F3  4  0.1100  0.2098  0.6297  1
  F  F4  4  0.1417  0.4870  0.9346  1
  F  F5  4  0.3288  0.0062  0.5414  1
  F  F6  4  0.3597  0.3085  0.3426  1
]