# generated using pymatgen
data_LiMn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73846957
_cell_length_b   8.73846957
_cell_length_c   10.14066707
_cell_angle_alpha   55.38958332
_cell_angle_beta   55.38958332
_cell_angle_gamma   71.23459993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3OF5
_chemical_formula_sum   'Li4 Mn12 O4 F20'
_cell_volume   524.53141120
_cell_formula_units_Z   4
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  0.49253000  0.02406900  0.47057900  1
  Li  Li1  1  0.02017500  0.52309000  0.45616200  1
  Li  Li2  1  0.02406900  0.49253000  0.97057900  1
  Li  Li3  1  0.52309000  0.02017500  0.95616200  1
  Mn  Mn4  1  0.24477300  0.25718400  0.72277400  1
  Mn  Mn5  1  0.95151500  0.04430200  0.74966400  1
  Mn  Mn6  1  0.52754900  0.45231200  0.25139100  1
  Mn  Mn7  1  0.77821200  0.26914300  0.47972300  1
  Mn  Mn8  1  0.26914400  0.77821200  0.97972300  1
  Mn  Mn9  1  0.25718400  0.24477300  0.22277400  1
  Mn  Mn10  1  0.74682200  0.76809500  0.78335900  1
  Mn  Mn11  1  0.21678800  0.70079200  0.54654000  1
  Mn  Mn12  1  0.70079200  0.21678800  0.04654000  1
  Mn  Mn13  1  0.04430200  0.95151500  0.24966400  1
  Mn  Mn14  1  0.45231200  0.52754900  0.75139100  1
  Mn  Mn15  1  0.76809500  0.74682200  0.28335900  1
  O  O16  1  0.03628600  0.73852700  0.22186500  1
  O  O17  1  0.73852700  0.03628600  0.72186500  1
  O  O18  1  0.24178900  0.46183200  0.75979300  1
  O  O19  1  0.46183200  0.24178900  0.25979300  1
  F  F20  1  0.28427000  0.04708400  0.95854800  1
  F  F21  1  0.26279000  0.50782000  0.44794800  1
  F  F22  1  0.52241500  0.22222600  0.51844700  1
  F  F23  1  0.78510800  0.47910100  0.97783200  1
  F  F24  1  0.99749300  0.21528900  0.24523700  1
  F  F25  1  0.21528900  0.99749300  0.74523700  1
  F  F26  1  0.48802800  0.72282600  0.05201700  1
  F  F27  1  0.04708400  0.28427000  0.45854800  1
  F  F28  1  0.74463700  0.52926000  0.25071400  1
  F  F29  1  0.52926000  0.74463700  0.75071400  1
  F  F30  1  0.95083500  0.73415000  0.54707100  1
  F  F31  1  0.77373700  0.02041200  0.26806900  1
  F  F32  1  0.02041200  0.77373700  0.76806900  1
  F  F33  1  0.50782000  0.26279000  0.94794800  1
  F  F34  1  0.22222600  0.52241500  0.01844700  1
  F  F35  1  0.47910100  0.78510800  0.47783200  1
  F  F36  1  0.26410100  0.95263400  0.29226600  1
  F  F37  1  0.95263400  0.26410100  0.79226600  1
  F  F38  1  0.72282600  0.48802800  0.55201700  1
  F  F39  1  0.73415000  0.95083500  0.04707100  1
