data_[Li4As4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4_1]
_cell_length_a [5.1103]
_cell_length_b [5.1103]
_cell_length_c [12.3352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [80]
_chemical_formula_structural [LiAsF4]
_chemical_formula_sum '[Li4 As4 F16]'
_cell_volume [322.1347]
_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  0.0000  0.0000  0.3767  1.0
  As  As1  4  0.0000  0.0000  0.8230  1.0
  F  F2  8  0.1510  0.7863  0.7200  1.0
  F  F3  8  0.1971  0.2662  0.3045  1.0
]