data_[Li4Mn3O3F9]
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 [5.6657]
_cell_length_b [5.8577]
_cell_length_c [6.2701]
_cell_angle_alpha [98.4520]
_cell_angle_beta [99.4910]
_cell_angle_gamma [96.9776]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Mn3(OF3)3]
_chemical_formula_sum '[Li4 Mn3 O3 F9]'
_cell_volume [200.7365]
_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  0.1379  0.3403  0.5998  1.0
  Li  Li1  1  0.3976  0.8570  0.6768  1.0
  Li  Li2  1  0.6830  0.3915  0.8599  1.0
  Li  Li3  1  0.8846  0.6802  0.4391  1.0
  Mn  Mn4  1  0.3520  0.6189  0.1484  1.0
  Mn  Mn5  1  0.5926  0.1503  0.3293  1.0
  Mn  Mn6  1  0.9966  0.0006  0.0061  1.0
  O  O7  1  0.3223  0.9505  0.1247  1.0
  O  O8  1  0.5670  0.4014  0.1900  1.0
  O  O9  1  0.8956  0.0989  0.2605  1.0
  F  F10  1  0.0682  0.8935  0.7190  1.0
  F  F11  1  0.0974  0.3029  0.9639  1.0
  F  F12  1  0.1966  0.5917  0.3996  1.0
  F  F13  1  0.3818  0.1783  0.5367  1.0
  F  F14  1  0.4107  0.5884  0.8460  1.0
  F  F15  1  0.6128  0.8424  0.4331  1.0
  F  F16  1  0.6910  0.0412  0.8605  1.0
  F  F17  1  0.8081  0.3817  0.5771  1.0
  F  F18  1  0.9041  0.6902  0.0295  1.0
]