data_[Li1Mn3O2F6]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2865]
_cell_length_b [5.4022]
_cell_length_c [6.1428]
_cell_angle_alpha [69.1733]
_cell_angle_beta [88.0694]
_cell_angle_gamma [78.9638]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiMn3(OF3)2]
_chemical_formula_sum '[Li1 Mn3 O2 F6]'
_cell_volume [160.8215]
_cell_formula_units_Z [1]
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  1  0.5326  0.9702  0.2712  1.0
  Mn  Mn1  1  0.2363  0.5177  0.8704  1.0
  Mn  Mn2  1  0.2490  0.4975  0.3715  1.0
  Mn  Mn3  1  0.7495  0.4994  0.1333  1.0
  O  O4  1  0.1158  0.3287  0.1705  1.0
  O  O5  1  0.4096  0.7009  0.1053  1.0
  F  F6  1  0.1465  0.2890  0.6680  1.0
  F  F7  1  0.3459  0.7127  0.5526  1.0
  F  F8  1  0.5780  0.2933  0.9553  1.0
  F  F9  1  0.6154  0.2228  0.4044  1.0
  F  F10  1  0.8568  0.7287  0.2949  1.0
  F  F11  1  0.8953  0.7250  0.8213  1.0
]