# generated using pymatgen
data_LiZr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44824392
_cell_length_b   6.44824392
_cell_length_c   6.44824392
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2O4
_chemical_formula_sum   'Li2 Zr4 O8'
_cell_volume   189.58735752
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.75000000  0.75000000  0.75000000  1
  Zr  Zr2  1  0.62500000  0.12500000  0.12500000  1
  Zr  Zr3  1  0.12500000  0.12500000  0.12500000  1
  Zr  Zr4  1  0.12500000  0.12500000  0.62500000  1
  Zr  Zr5  1  0.12500000  0.62500000  0.12500000  1
  O  O6  1  0.88743000  0.88743000  0.88743000  1
  O  O7  1  0.91228900  0.36257000  0.36257000  1
  O  O8  1  0.36257000  0.91228900  0.36257000  1
  O  O9  1  0.36257000  0.36257000  0.91228900  1
  O  O10  1  0.88743000  0.88743000  0.33771100  1
  O  O11  1  0.88743000  0.33771100  0.88743000  1
  O  O12  1  0.33771100  0.88743000  0.88743000  1
  O  O13  1  0.36257000  0.36257000  0.36257000  1
