data_[Li4Mn2F12]
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 [Pc]
_cell_length_a [5.0828]
_cell_length_b [5.2213]
_cell_length_c [9.0726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li2MnF6]
_chemical_formula_sum '[Li4 Mn2 F12]'
_cell_volume [199.3232]
_cell_formula_units_Z [2]
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  2  0.2562  0.2058  0.2582  1.0
  Li  Li1  2  0.4949  0.2619  1.0000  1.0
  Mn  Mn2  2  0.9984  0.2496  0.4999  1.0
  F  F3  2  0.1271  0.1799  0.7302  1.0
  F  F4  2  0.2220  0.4433  0.0726  1.0
  F  F5  2  0.3470  0.0692  0.5462  1.0
  F  F6  2  0.6304  0.4197  0.4414  1.0
  F  F7  2  0.7609  0.0437  0.9321  1.0
  F  F8  2  0.8955  0.3027  0.2701  1.0
]