# generated using pymatgen
data_Li6Hf2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96776214
_cell_length_b   5.27705425
_cell_length_c   10.23557879
_cell_angle_alpha   69.95347861
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Hf2O7
_chemical_formula_sum   'Li12 Hf4 O14'
_cell_volume   302.81178859
_cell_formula_units_Z   2
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  0.77981306  0.20718826  0.14272138  1
  Li  Li1  1  0.23530913  0.21517517  0.13777288  1
  Li  Li2  1  0.49538963  0.84008373  0.12407796  1
  Li  Li3  1  0.99538963  0.15991627  0.37592204  1
  Li  Li4  1  0.73530913  0.78482483  0.36222712  1
  Li  Li5  1  0.27981306  0.79281174  0.35727862  1
  Li  Li6  1  0.72018694  0.20718826  0.64272138  1
  Li  Li7  1  0.26469087  0.21517517  0.63777288  1
  Li  Li8  1  0.00461037  0.84008373  0.62407796  1
  Li  Li9  1  0.50461037  0.15991627  0.87592204  1
  Li  Li10  1  0.76469087  0.78482483  0.86222712  1
  Li  Li11  1  0.22018694  0.79281174  0.85727862  1
  Hf  Hf12  1  0.00636289  0.72931749  0.13331188  1
  Hf  Hf13  1  0.50636289  0.27068251  0.36668812  1
  Hf  Hf14  1  0.49363711  0.72931749  0.63331188  1
  Hf  Hf15  1  0.99363711  0.27068251  0.86668812  1
  O  O16  1  -0.00000000  0.50000000  -0.00000000  1
  O  O17  1  0.76563631  0.99001228  0.00334762  1
  O  O18  1  0.50754176  0.03977434  0.24547020  1
  O  O19  1  0.27789553  0.51920947  0.23727455  1
  O  O20  1  0.77789553  0.48079053  0.26272545  1
  O  O21  1  0.00754176  0.96022566  0.25452980  1
  O  O22  1  0.26563631  0.00998772  0.49665238  1
  O  O23  1  0.50000000  0.50000000  0.50000000  1
  O  O24  1  0.73436369  0.99001228  0.50334762  1
  O  O25  1  0.99245824  0.03977434  0.74547020  1
  O  O26  1  0.22210447  0.51920947  0.73727455  1
  O  O27  1  0.72210447  0.48079053  0.76272545  1
  O  O28  1  0.49245824  0.96022566  0.75452980  1
  O  O29  1  0.23436369  0.00998772  0.99665238  1
