# generated using pymatgen
data_SrHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78671125
_cell_length_b   5.78671243
_cell_length_c   5.78671330
_cell_angle_alpha   120.67039233
_cell_angle_beta   120.67038770
_cell_angle_gamma   88.84277160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfO3
_chemical_formula_sum   'Sr2 Hf2 O6'
_cell_volume   135.60049749
_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
  Sr  Sr0  1  0.24999968  0.74999911  0.49999876  1.0
  Sr  Sr1  1  0.74999847  0.24999883  0.49999750  1.0
  Hf  Hf2  1  0.50000015  0.50000458  0.00000459  1.0
  Hf  Hf3  1  0.00000175  -0.00000351  -0.00000175  1.0
  O  O4  1  0.69841160  0.19841159  0.89682385  1.0
  O  O5  1  0.19841146  0.30158876  0.49999996  1.0
  O  O6  1  0.80158798  0.69841174  0.49999970  1.0
  O  O7  1  0.30158859  0.80158839  0.10317645  1.0
  O  O8  1  0.74999976  0.75000062  0.00000038  1.0
  O  O9  1  0.25000056  0.24999991  0.00000056  1.0