# generated using pymatgen
data_LiZr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16634200
_cell_length_b   6.10381800
_cell_length_c   10.86671300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2O4
_chemical_formula_sum   'Li4 Zr8 O16'
_cell_volume   342.67539715
_cell_formula_units_Z   4
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  0.94130700  0.75000000  0.60234900  1
  Li  Li1  1  0.55869300  0.75000000  0.10234900  1
  Li  Li2  1  0.44130700  0.25000000  0.89765100  1
  Li  Li3  1  0.05869300  0.25000000  0.39765100  1
  Zr  Zr4  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr5  1  0.00000000  0.50000000  0.00000000  1
  Zr  Zr6  1  0.97808000  0.25000000  0.72073400  1
  Zr  Zr7  1  0.52192000  0.25000000  0.22073400  1
  Zr  Zr8  1  0.50000000  0.00000000  0.50000000  1
  Zr  Zr9  1  0.50000000  0.50000000  0.50000000  1
  Zr  Zr10  1  0.47808000  0.75000000  0.77926600  1
  Zr  Zr11  1  0.02192000  0.75000000  0.27926600  1
  O  O12  1  0.78483500  0.75000000  0.43590600  1
  O  O13  1  0.73003500  0.98732000  0.67081200  1
  O  O14  1  0.73003500  0.51268000  0.67081200  1
  O  O15  1  0.70333500  0.25000000  0.39504900  1
  O  O16  1  0.79666500  0.25000000  0.89504900  1
  O  O17  1  0.76996500  0.98732000  0.17081200  1
  O  O18  1  0.76996500  0.51268000  0.17081200  1
  O  O19  1  0.71516500  0.75000000  0.93590600  1
  O  O20  1  0.28483500  0.25000000  0.06409400  1
  O  O21  1  0.23003500  0.01268000  0.82918800  1
  O  O22  1  0.23003500  0.48732000  0.82918800  1
  O  O23  1  0.20333500  0.75000000  0.10495100  1
  O  O24  1  0.29666500  0.75000000  0.60495100  1
  O  O25  1  0.26996500  0.01268000  0.32918800  1
  O  O26  1  0.26996500  0.48732000  0.32918800  1
  O  O27  1  0.21516500  0.25000000  0.56409400  1
