data_[Li4Mn6O8F6]
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 [6.2230]
_cell_length_b [6.6662]
_cell_length_c [7.9894]
_cell_angle_alpha [105.3212]
_cell_angle_beta [112.8735]
_cell_angle_gamma [101.3215]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2Mn3O4F3]
_chemical_formula_sum '[Li4 Mn6 O8 F6]'
_cell_volume [277.3409]
_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  1  0.1784  0.6956  0.0513  1
  Li  Li1  1  0.2478  0.8548  0.5443  1
  Li  Li2  1  0.7536  0.2748  0.9309  1
  Li  Li3  1  0.8237  0.1688  0.4739  1
  Mn  Mn4  1  0.1402  0.1421  0.2119  1
  Mn  Mn5  1  0.2973  0.2720  0.9348  1
  Mn  Mn6  1  0.4244  0.4144  0.6441  1
  Mn  Mn7  1  0.5754  0.5725  0.3513  1
  Mn  Mn8  1  0.7064  0.7324  0.0712  1
  Mn  Mn9  1  0.8422  0.8483  0.7829  1
  O  O10  1  0.1033  0.2814  0.4285  1
  O  O11  1  0.1781  0.9880  0.9834  1
  O  O12  1  0.2333  0.4192  0.1486  1
  O  O13  1  0.3894  0.1737  0.7376  1
  O  O14  1  0.5041  0.6836  0.5710  1
  O  O15  1  0.6507  0.4715  0.1366  1
  O  O16  1  0.7688  0.5708  0.8681  1
  O  O17  1  0.7717  0.9879  0.0058  1
  F  F18  1  0.1180  0.8503  0.2734  1
  F  F19  1  0.3003  0.5716  0.8659  1
  F  F20  1  0.5450  0.2723  0.4169  1
  F  F21  1  0.6167  0.8698  0.2745  1
  F  F22  1  0.9011  0.1567  0.7356  1
  F  F23  1  0.9302  0.7274  0.5576  1
]