# generated using pymatgen
data_LiMnFeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84190718
_cell_length_b   8.84190718
_cell_length_c   4.72755000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnFeF6
_chemical_formula_sum   'Li3 Mn3 Fe3 F18'
_cell_volume   320.08011348
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.49545000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.33333300  0.66666700  0.50455000  1
  Mn  Mn3  1  0.00000000  0.35411800  0.00000000  1
  Mn  Mn4  1  0.35411800  0.00000000  0.00000000  1
  Mn  Mn5  1  0.64588200  0.64588200  0.00000000  1
  Fe  Fe6  1  0.31311200  0.31311200  0.50000000  1
  Fe  Fe7  1  0.68688800  0.00000000  0.50000000  1
  Fe  Fe8  1  0.00000000  0.68688800  0.50000000  1
  F  F9  1  0.89171000  0.46846300  0.27151400  1
  F  F10  1  0.78409100  0.56252400  0.72165200  1
  F  F11  1  0.43747600  0.22156600  0.72165200  1
  F  F12  1  0.88621100  0.10814500  0.24306000  1
  F  F13  1  0.21590900  0.77843400  0.27834800  1
  F  F14  1  0.46846300  0.89171000  0.72848600  1
  F  F15  1  0.57675300  0.10829000  0.27151400  1
  F  F16  1  0.89185500  0.77806600  0.24306000  1
  F  F17  1  0.53153700  0.42324700  0.27151400  1
  F  F18  1  0.77843400  0.21590900  0.72165200  1
  F  F19  1  0.11378900  0.22193400  0.75694000  1
  F  F20  1  0.10829000  0.57675300  0.72848600  1
  F  F21  1  0.10814500  0.88621100  0.75694000  1
  F  F22  1  0.22156600  0.43747600  0.27834800  1
  F  F23  1  0.22193400  0.11378900  0.24306000  1
  F  F24  1  0.42324700  0.53153700  0.72848600  1
  F  F25  1  0.56252400  0.78409100  0.27834800  1
  F  F26  1  0.77806600  0.89185500  0.75694000  1
