# generated using pymatgen
data_Li6Fe(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39543748
_cell_length_b   6.92313033
_cell_length_c   16.54938443
_cell_angle_alpha   90.00199267
_cell_angle_beta   89.99511985
_cell_angle_gamma   105.98741537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe(OF)3
_chemical_formula_sum   'Li24 Fe4 O12 F12'
_cell_volume   594.26478074
_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  0.99546700  0.51132300  0.42450700  1
  Li  Li1  1  0.99557300  0.01134000  0.67449500  1
  Li  Li2  1  0.99558700  0.51117700  0.92453300  1
  Li  Li3  1  0.99557200  0.01120300  0.17448800  1
  Li  Li4  1  0.99558500  0.51133700  0.57546500  1
  Li  Li5  1  0.99552200  0.01128200  0.82553700  1
  Li  Li6  1  0.99549900  0.51117700  0.07548600  1
  Li  Li7  1  0.99564300  0.01117900  0.32549500  1
  Li  Li8  1  0.36021400  0.32881100  0.33329300  1
  Li  Li9  1  0.36037400  0.82893800  0.58331500  1
  Li  Li10  1  0.36024000  0.32883100  0.83335900  1
  Li  Li11  1  0.36029300  0.82881300  0.08333200  1
  Li  Li12  1  0.66213100  0.17780700  0.40879200  1
  Li  Li13  1  0.66225700  0.67800100  0.65884600  1
  Li  Li14  1  0.66211000  0.17777400  0.90882400  1
  Li  Li15  1  0.66218100  0.67785000  0.15883600  1
  Li  Li16  1  0.36024800  0.32886200  0.66669800  1
  Li  Li17  1  0.36030800  0.82882800  0.91669800  1
  Li  Li18  1  0.36022300  0.32877800  0.16666800  1
  Li  Li19  1  0.36036100  0.82892200  0.41664200  1
  Li  Li20  1  0.66213300  0.17788700  0.59118000  1
  Li  Li21  1  0.66223400  0.67792500  0.84115500  1
  Li  Li22  1  0.66210000  0.17781400  0.09119200  1
  Li  Li23  1  0.66218100  0.67783300  0.34115100  1
  Fe  Fe24  1  0.93712000  0.93723900  0.50001200  1
  Fe  Fe25  1  0.93700300  0.43705100  0.74996200  1
  Fe  Fe26  1  0.93699100  0.93683400  0.99996700  1
  Fe  Fe27  1  0.93688700  0.43709800  0.25005500  1
  O  O28  1  0.10391100  0.73116000  0.50000500  1
  O  O29  1  0.10301700  0.23088700  0.75008900  1
  O  O30  1  0.10360700  0.73067700  0.99999700  1
  O  O31  1  0.10304600  0.23092500  0.25000200  1
  O  O32  1  0.73059000  0.41718000  0.34322600  1
  O  O33  1  0.73075900  0.91711300  0.59328500  1
  O  O34  1  0.73088200  0.41722200  0.84317700  1
  O  O35  1  0.73100600  0.91709100  0.09331600  1
  O  O36  1  0.73074000  0.41732200  0.65677900  1
  O  O37  1  0.73088300  0.91689600  0.90670500  1
  O  O38  1  0.73073700  0.41726100  0.15682200  1
  O  O39  1  0.73103600  0.91679900  0.40668600  1
  F  F40  1  0.28310600  0.58921600  0.34705300  1
  F  F41  1  0.28347300  0.08910200  0.59673600  1
  F  F42  1  0.28354200  0.58900400  0.84729000  1
  F  F43  1  0.28354000  0.08902400  0.09668100  1
  F  F44  1  0.28343600  0.58896700  0.65281200  1
  F  F45  1  0.28350500  0.08909600  0.90334600  1
  F  F46  1  0.28346300  0.58897000  0.15280700  1
  F  F47  1  0.28353200  0.08911600  0.40321800  1
  F  F48  1  0.89391600  0.28324300  0.49999900  1
  F  F49  1  0.89618600  0.78494500  0.74999600  1
  F  F50  1  0.89416400  0.28308100  0.99999500  1
  F  F51  1  0.89589400  0.78378900  0.24999600  1
