data_[Li8Mn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.4895]
_cell_length_b [5.4777]
_cell_length_c [6.1343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2MnF4]
_chemical_formula_sum '[Li8 Mn4 F16]'
_cell_volume [318.8580]
_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  0.1604  0.5394  0.1656  1.0
  Li  Li1  2  0.0000  0.9758  0.5000  1.0
  Li  Li2  2  0.0000  0.9775  0.0000  1.0
  Mn  Mn3  4  0.1521  0.4385  0.6745  1.0
  F  F4  4  0.0108  0.7232  0.7411  1.0
  F  F5  4  0.0292  0.2347  0.2532  1.0
  F  F6  4  0.2260  0.0755  0.5735  1.0
  F  F7  4  0.2291  0.8764  0.0492  1.0
]