data_[Li28O4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8656]
_cell_length_b [9.5620]
_cell_length_c [16.4457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li7OF5]
_chemical_formula_sum '[Li28 O4 F20]'
_cell_volume [450.6224]
_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  8  0.0000  0.1343  0.0372  1
  Li  Li1  8  0.0000  0.3016  0.6823  1
  Li  Li2  8  0.0000  0.4087  0.1147  1
  Li  Li3  4  0.0000  0.0733  0.7500  1
  O  O4  4  0.0000  0.2968  0.2500  1
  F  F5  8  0.0000  0.0402  0.1510  1
  F  F6  8  0.0000  0.2270  0.5744  1
  F  F7  4  0.0000  0.5000  0.0000  1
]