data_[Li4Mn3O1F11]
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 [5.9246]
_cell_length_b [6.0137]
_cell_length_c [6.0773]
_cell_angle_alpha [98.3020]
_cell_angle_beta [97.2234]
_cell_angle_gamma [97.6831]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Mn3OF11]
_chemical_formula_sum '[Li4 Mn3 O1 F11]'
_cell_volume [209.9970]
_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  0.5933  0.1200  0.2779  1.0
  Li  Li1  1  0.7535  0.3928  0.9225  1.0
  Li  Li2  1  0.8613  0.7115  0.3980  1.0
  Li  Li3  1  0.9905  0.9746  0.0041  1.0
  Mn  Mn4  1  0.1280  0.3361  0.5936  1.0
  Mn  Mn5  1  0.2866  0.5932  0.0889  1.0
  Mn  Mn6  1  0.3996  0.8819  0.6989  1.0
  O  O7  1  0.3563  0.5912  0.7932  1.0
  F  F8  1  0.0791  0.8912  0.6770  1.0
  F  F9  1  0.0842  0.2932  0.9345  1.0
  F  F10  1  0.2046  0.5699  0.3777  1.0
  F  F11  1  0.3191  0.9245  0.1078  1.0
  F  F12  1  0.3975  0.1815  0.5879  1.0
  F  F13  1  0.5353  0.4018  0.1505  1.0
  F  F14  1  0.5980  0.8396  0.4521  1.0
  F  F15  1  0.6794  0.0309  0.9026  1.0
  F  F16  1  0.8540  0.4588  0.6100  1.0
  F  F17  1  0.9218  0.6761  0.0797  1.0
  F  F18  1  0.9578  0.1310  0.3429  1.0
]