# generated using pymatgen
data_Li3Fe4O3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00198800
_cell_length_b   6.12085070
_cell_length_c   6.12262250
_cell_angle_alpha   119.94237439
_cell_angle_beta   90.27893636
_cell_angle_gamma   118.65132288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4O3F5
_chemical_formula_sum   'Li3 Fe4 O3 F5'
_cell_volume   161.98242984
_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  0.00840800  0.51202000  0.99552500  1
  Li  Li1  1  0.50262600  0.00472600  0.50010500  1
  Li  Li2  1  0.00355600  0.99717100  0.50610200  1
  Fe  Fe3  1  0.48259800  0.53342100  0.98572400  1
  Fe  Fe4  1  0.00125500  0.00069000  0.99988300  1
  Fe  Fe5  1  0.48998400  0.48192400  0.50909400  1
  Fe  Fe6  1  0.02162700  0.45991900  0.52255300  1
  O  O7  1  0.23063800  0.99432800  0.23055500  1
  O  O8  1  0.22953600  0.99353700  0.73423900  1
  O  O9  1  0.76830200  0.00590000  0.76811600  1
  F  F10  1  0.24858500  0.55304600  0.72099400  1
  F  F11  1  0.24864500  0.45999800  0.27162800  1
  F  F12  1  0.76931700  0.00793800  0.26364900  1
  F  F13  1  0.74551700  0.54478000  0.71878200  1
  F  F14  1  0.74940900  0.45060300  0.27305300  1
