# generated using pymatgen
data_Li3ZrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64391600
_cell_length_b   9.64391600
_cell_length_c   3.49961400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ZrO3
_chemical_formula_sum   'Li12 Zr4 O12'
_cell_volume   325.48200538
_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  0.35422000  0.08614100  0.50000000  1
  Li  Li1  1  0.58614100  0.14578000  0.00000000  1
  Li  Li2  1  0.17337300  0.17337300  0.00000000  1
  Li  Li3  1  0.67337300  0.32662700  0.50000000  1
  Li  Li4  1  0.08614100  0.35422000  0.50000000  1
  Li  Li5  1  0.85422000  0.41385900  0.00000000  1
  Li  Li6  1  0.14578000  0.58614100  0.00000000  1
  Li  Li7  1  0.91385900  0.64578000  0.50000000  1
  Li  Li8  1  0.32662700  0.67337300  0.50000000  1
  Li  Li9  1  0.82662700  0.82662700  0.00000000  1
  Li  Li10  1  0.41385900  0.85422000  0.00000000  1
  Li  Li11  1  0.64578000  0.91385900  0.50000000  1
  Zr  Zr12  1  0.88064800  0.11935200  0.50000000  1
  Zr  Zr13  1  0.38064800  0.38064800  0.00000000  1
  Zr  Zr14  1  0.61935200  0.61935200  0.00000000  1
  Zr  Zr15  1  0.11935200  0.88064800  0.50000000  1
  O  O16  1  0.10550000  0.10550000  0.50000000  1
  O  O17  1  0.67076500  0.11571100  0.50000000  1
  O  O18  1  0.38428900  0.17076500  0.00000000  1
  O  O19  1  0.88428900  0.32923500  0.50000000  1
  O  O20  1  0.17076500  0.38428900  0.00000000  1
  O  O21  1  0.60550000  0.39450000  0.00000000  1
  O  O22  1  0.39450000  0.60550000  0.00000000  1
  O  O23  1  0.82923500  0.61571100  0.00000000  1
  O  O24  1  0.11571100  0.67076500  0.50000000  1
  O  O25  1  0.61571100  0.82923500  0.00000000  1
  O  O26  1  0.32923500  0.88428900  0.50000000  1
  O  O27  1  0.89450000  0.89450000  0.50000000  1
