# generated using pymatgen
data_Li6Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99883608
_cell_length_b   5.99883608
_cell_length_c   10.17952628
_cell_angle_alpha   81.23541756
_cell_angle_beta   81.23541756
_cell_angle_gamma   59.69282908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Zr2O7
_chemical_formula_sum   'Li12 Zr4 O14'
_cell_volume   311.33817997
_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  0.29662631  0.58410180  0.58495350  1
  Li  Li1  1  0.41589820  0.70337369  0.91504650  1
  Li  Li2  1  0.70337369  0.41589820  0.41504650  1
  Li  Li3  1  0.96638085  0.16798840  0.89809979  1
  Li  Li4  1  0.57925507  0.83476024  0.10456315  1
  Li  Li5  1  0.16523976  0.42074493  0.39543685  1
  Li  Li6  1  0.42074493  0.16523976  0.89543685  1
  Li  Li7  1  0.83476024  0.57925507  0.60456315  1
  Li  Li8  1  0.16798840  0.96638085  0.39809979  1
  Li  Li9  1  0.03361915  0.83201160  0.10190021  1
  Li  Li10  1  0.83201160  0.03361915  0.60190021  1
  Li  Li11  1  0.58410180  0.29662631  0.08495350  1
  Zr  Zr12  1  0.93706220  0.69632325  0.86483898  1
  Zr  Zr13  1  0.30367675  0.06293780  0.63516102  1
  Zr  Zr14  1  0.06293780  0.30367675  0.13516102  1
  Zr  Zr15  1  0.69632325  0.93706220  0.36483898  1
  O  O16  1  0.35913734  0.13189451  0.25762915  1
  O  O17  1  0.86810549  0.64086266  0.24237085  1
  O  O18  1  0.64086266  0.86810549  0.74237085  1
  O  O19  1  0.13189451  0.35913734  0.75762915  1
  O  O20  1  0.84363148  0.15636852  0.25000000  1
  O  O21  1  0.15636852  0.84363148  0.75000000  1
  O  O22  1  0.49857826  0.23708737  0.50240483  1
  O  O23  1  0.76291263  0.50142174  0.99759517  1
  O  O24  1  0.50142174  0.76291263  0.49759517  1
  O  O25  1  0.23708737  0.49857826  0.00240483  1
  O  O26  1  0.24482455  0.99795468  0.02078755  1
  O  O27  1  0.00204532  0.75517545  0.47921245  1
  O  O28  1  0.75517545  0.00204532  0.97921245  1
  O  O29  1  0.99795468  0.24482455  0.52078755  1
