# generated using pymatgen
data_LiFe7(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44956800
_cell_length_b   5.72286694
_cell_length_c   9.19480030
_cell_angle_alpha   105.74480737
_cell_angle_beta   88.95925558
_cell_angle_gamma   117.61620650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe7(OF3)3
_chemical_formula_sum   'Li1 Fe7 O3 F9'
_cell_volume   242.60125760
_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  0.78913900  0.70168700  0.93189100  1
  Fe  Fe1  1  0.21615700  0.26503700  0.07990400  1
  Fe  Fe2  1  0.76068900  0.32766900  0.57619500  1
  Fe  Fe3  1  0.49464700  0.71852000  0.17153200  1
  Fe  Fe4  1  0.95812000  0.30360300  0.32460400  1
  Fe  Fe5  1  0.02493200  0.70035300  0.66537500  1
  Fe  Fe6  1  0.31505900  0.70313500  0.43576100  1
  Fe  Fe7  1  0.46435300  0.31476200  0.80876400  1
  O  O8  1  0.25308400  0.77887400  0.23322500  1
  O  O9  1  0.74384900  0.82083400  0.47266200  1
  O  O10  1  0.18622200  0.48948000  0.62623100  1
  F  F11  1  0.78881800  0.80581300  0.72266700  1
  F  F12  1  0.79365900  0.52069700  0.36209200  1
  F  F13  1  0.65738800  0.51883800  0.11640900  1
  F  F14  1  0.21650500  0.78398100  0.97301100  1
  F  F15  1  0.76050300  0.20845100  0.01526800  1
  F  F16  1  0.32159900  0.18179100  0.54313500  1
  F  F17  1  0.30765900  0.49363400  0.87240800  1
  F  F18  1  0.72964100  0.16216700  0.79540700  1
  F  F19  1  0.21797900  0.20067500  0.27346200  1
