# generated using pymatgen
data_Li2Fe12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13988839
_cell_length_b   9.13991734
_cell_length_c   3.43701935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99938511
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe12P7
_chemical_formula_sum   'Li2 Fe12 P7'
_cell_volume   248.65572348
_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  0.66666013  0.33333470  0.00000000  1
  Li  Li1  1  0.00005002  0.00006091  0.50000000  1
  Fe  Fe2  1  0.44300845  0.50349938  -0.00000000  1
  Fe  Fe3  1  0.37539242  0.26530025  0.50000000  1
  Fe  Fe4  1  0.49650595  0.93948831  -0.00000000  1
  Fe  Fe5  1  0.88989966  0.62459331  0.50000000  1
  Fe  Fe6  1  0.73474377  0.11010099  0.50000000  1
  Fe  Fe7  1  0.55287780  0.75826544  0.50000000  1
  Fe  Fe8  1  0.06043653  0.55697085  0.00000000  1
  Fe  Fe9  1  0.95720509  0.24256587  0.00000000  1
  Fe  Fe10  1  0.75741602  0.71461780  -0.00000000  1
  Fe  Fe11  1  0.20536260  0.44707034  0.50000000  1
  Fe  Fe12  1  0.28537053  0.04281771  -0.00000000  1
  Fe  Fe13  1  0.24170526  0.79461385  0.50000000  1
  P  P14  1  0.60619609  0.52282758  0.50000000  1
  P  P15  1  0.47718915  0.08338681  0.50000000  1
  P  P16  1  0.33332503  0.66665398  -0.00000000  1
  P  P17  1  0.91660892  0.39379816  0.50000000  1
  P  P18  1  0.75071023  0.95780046  0.00000000  1
  P  P19  1  0.20713652  0.24932335  0.00000000  1
  P  P20  1  0.04220183  0.79291094  0.00000000  1
