data_[Li4Mn2O1F7]
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 [5.9633]
_cell_length_b [5.9975]
_cell_length_c [6.0388]
_cell_angle_alpha [89.8764]
_cell_angle_beta [60.7418]
_cell_angle_gamma [61.5792]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Mn2OF7]
_chemical_formula_sum '[Li4 Mn2 O1 F7]'
_cell_volume [158.0624]
_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  0.2587  0.0975  0.8671  1.0
  Li  Li1  1  0.5007  0.5011  0.4959  1.0
  Li  Li2  1  0.7486  0.8957  0.1433  1.0
  Li  Li3  1  0.9932  0.5122  0.4926  1.0
  Mn  Mn4  1  0.4788  0.5079  0.0080  1.0
  Mn  Mn5  1  0.9992  0.9909  0.4903  1.0
  O  O6  1  0.0149  0.7671  0.2744  1.0
  F  F7  1  0.0111  0.7596  0.7291  1.0
  F  F8  1  0.4792  0.2761  0.2708  1.0
  F  F9  1  0.4961  0.7504  0.2636  1.0
  F  F10  1  0.5086  0.2471  0.7375  1.0
  F  F11  1  0.5316  0.7161  0.7251  1.0
  F  F12  1  0.9862  0.2356  0.7307  1.0
  F  F13  1  0.9930  0.2429  0.2716  1.0
]