# generated using pymatgen
data_LiMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05728580
_cell_length_b   6.05728580
_cell_length_c   4.91247900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.69553502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg6Fe
_chemical_formula_sum   'Li1 Mg6 Fe1'
_cell_volume   159.59195507
_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  0.66743200  0.33256800  0.50000000  1
  Mg  Mg1  1  0.83340500  0.65302400  0.00000000  1
  Mg  Mg2  1  0.34697600  0.16659500  0.00000000  1
  Mg  Mg3  1  0.33807100  0.66192900  0.00000000  1
  Mg  Mg4  1  0.67035400  0.86153500  0.50000000  1
  Mg  Mg5  1  0.13846500  0.32964600  0.50000000  1
  Mg  Mg6  1  0.16004500  0.83995500  0.50000000  1
  Fe  Fe7  1  0.84525200  0.15474800  0.00000000  1
