# generated using pymatgen
data_LiMnSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27669554
_cell_length_b   5.67095678
_cell_length_c   7.57354937
_cell_angle_alpha   107.14321792
_cell_angle_beta   108.41858000
_cell_angle_gamma   96.33692047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnSO4F
_chemical_formula_sum   'Li2 Mn2 S2 O8 F2'
_cell_volume   200.22441326
_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  0.26068200  0.62001200  0.79279500  1
  Li  Li1  1  0.73938400  0.37988700  0.20711000  1
  Mn  Mn2  1  0.99997800  0.00010500  0.00015000  1
  Mn  Mn3  1  0.99985900  0.99969200  0.50001900  1
  S  S4  1  0.32657600  0.63106700  0.24279000  1
  S  S5  1  0.67340400  0.36897500  0.75714800  1
  O  O6  1  0.60028500  0.75123800  0.40016000  1
  O  O7  1  0.39957400  0.24880500  0.59987700  1
  O  O8  1  0.10729500  0.65068300  0.32855200  1
  O  O9  1  0.89259900  0.34926000  0.67127800  1
  O  O10  1  0.32840300  0.35889400  0.14913600  1
  O  O11  1  0.67166500  0.64122400  0.85077900  1
  O  O12  1  0.27362700  0.75200300  0.08775700  1
  O  O13  1  0.72652100  0.24812000  0.91226400  1
  F  F14  1  0.12119500  0.89848500  0.75454000  1
  F  F15  1  0.87895400  0.10155000  0.24564500  1
