# generated using pymatgen
data_Zr4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65295258
_cell_length_b   5.65172282
_cell_length_c   10.87632691
_cell_angle_alpha   74.93806296
_cell_angle_beta   89.98787765
_cell_angle_gamma   59.97325496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4O
_chemical_formula_sum   'Zr12 O3'
_cell_volume   286.99175263
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.45831080  0.41392735  0.37324181  1.0
  Zr  Zr1  1  0.96565491  0.40798879  0.87445268  1.0
  Zr  Zr2  1  0.12739901  0.08562550  0.37327486  1.0
  Zr  Zr3  1  0.62639442  0.09131639  0.87454608  1.0
  Zr  Zr4  1  0.78668291  0.75428691  0.37315813  1.0
  Zr  Zr5  1  0.28217981  0.75196459  0.87442223  1.0
  Zr  Zr6  1  0.37287634  0.91387274  0.12752021  1.0
  Zr  Zr7  1  0.87383901  0.90816108  0.62626384  1.0
  Zr  Zr8  1  0.04192777  0.58557292  0.12754506  1.0
  Zr  Zr9  1  0.53463022  0.59147436  0.62634915  1.0
  Zr  Zr10  1  0.71358862  0.24519783  0.12763850  1.0
  Zr  Zr11  1  0.21812138  0.24744122  0.62640794  1.0
  O  O12  1  0.25014748  0.49971084  0.75040418  1.0
  O  O13  1  0.50003239  0.99976645  0.50022863  1.0
  O  O14  1  0.00024194  0.99969504  0.00054868  1.0