# generated using pymatgen
data_LiMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97258651
_cell_length_b   8.06666408
_cell_length_c   5.78348851
_cell_angle_alpha   93.61840861
_cell_angle_beta   93.14082778
_cell_angle_gamma   87.67915935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn6(OF2)4
_chemical_formula_sum   'Li1 Mn6 O4 F8'
_cell_volume   231.01838379
_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  0.48365400  0.80689500  0.81684700  1
  Mn  Mn1  1  0.48457000  0.02717600  0.47774900  1
  Mn  Mn2  1  0.61546900  0.65924800  0.21106200  1
  Mn  Mn3  1  0.48768900  0.34302800  0.83761200  1
  Mn  Mn4  1  0.96319900  0.67845400  0.68359800  1
  Mn  Mn5  1  0.00245700  0.34006900  0.33899200  1
  Mn  Mn6  1  0.99269100  0.99825800  0.00656600  1
  O  O7  1  0.82543000  0.76456800  0.97055500  1
  O  O8  1  0.66583700  0.78360800  0.51944800  1
  O  O9  1  0.70099200  0.42436500  0.13001400  1
  O  O10  1  0.30129800  0.25663300  0.53573000  1
  F  F11  1  0.79636500  0.43190900  0.63650800  1
  F  F12  1  0.83118500  0.10588200  0.31645900  1
  F  F13  1  0.66640600  0.10203300  0.81427600  1
  F  F14  1  0.30868500  0.59292800  0.85362400  1
  F  F15  1  0.35534700  0.89493100  0.16065200  1
  F  F16  1  0.12939900  0.58622700  0.38770600  1
  F  F17  1  0.19116300  0.23582000  0.04107100  1
  F  F18  1  0.18427000  0.91796500  0.68861600  1
