# generated using pymatgen
data_Li6Hf2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94853961
_cell_length_b   5.94853961
_cell_length_c   10.07624667
_cell_angle_alpha   81.05634503
_cell_angle_beta   81.05634503
_cell_angle_gamma   59.71495854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Hf2O7
_chemical_formula_sum   'Li12 Hf4 O14'
_cell_volume   302.90289120
_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  0.66290460  0.92375867  0.39482798  1
  Li  Li1  1  0.92375867  0.66290460  0.89482798  1
  Li  Li2  1  0.20545219  0.91707129  0.41492312  1
  Li  Li3  1  0.66653150  0.46717396  0.39762195  1
  Li  Li4  1  0.91707129  0.20545219  0.91492312  1
  Li  Li5  1  0.46717396  0.66653150  0.89762195  1
  Li  Li6  1  0.53282604  0.33346850  0.10237805  1
  Li  Li7  1  0.08292871  0.79454781  0.08507688  1
  Li  Li8  1  0.33346850  0.53282604  0.60237805  1
  Li  Li9  1  0.79454781  0.08292871  0.58507688  1
  Li  Li10  1  0.07624133  0.33709540  0.10517202  1
  Li  Li11  1  0.33709540  0.07624133  0.60517202  1
  Hf  Hf12  1  0.56178156  0.80537605  0.13518831  1
  Hf  Hf13  1  0.80537605  0.56178156  0.63518831  1
  Hf  Hf14  1  0.19462395  0.43821844  0.36481169  1
  Hf  Hf15  1  0.43821844  0.19462395  0.86481169  1
  O  O16  1  0.86258114  0.63627467  0.25479597  1
  O  O17  1  0.00048144  0.26586988  0.49798251  1
  O  O18  1  0.63627467  0.86258114  0.75479597  1
  O  O19  1  0.26586988  0.00048144  0.99798251  1
  O  O20  1  0.74393846  0.49952983  0.02167307  1
  O  O21  1  0.35004370  0.64995630  0.25000000  1
  O  O22  1  0.49952983  0.74393846  0.52167307  1
  O  O23  1  0.50047017  0.25606154  0.47832693  1
  O  O24  1  0.64995630  0.35004370  0.75000000  1
  O  O25  1  0.25606154  0.50047017  0.97832693  1
  O  O26  1  0.73413012  0.99951856  0.00201749  1
  O  O27  1  0.36372533  0.13741886  0.24520403  1
  O  O28  1  0.99951856  0.73413012  0.50201749  1
  O  O29  1  0.13741886  0.36372533  0.74520403  1
