# generated using pymatgen
data_Ba3Hf2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16601568
_cell_length_b   11.33151617
_cell_length_c   4.16601568
_cell_angle_alpha   79.40740934
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.59259066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Hf2O7
_chemical_formula_sum   'Ba3 Hf2 O7'
_cell_volume   189.90438123
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.50000000  0.00000000  0.50000000  1.0
  Ba  Ba1  1  0.68594974  0.37189648  0.31405026  1.0
  Ba  Ba2  1  0.31405026  0.62810352  0.68594974  1.0
  Hf  Hf3  1  0.90362121  0.80724141  0.09637879  1.0
  Hf  Hf4  1  0.09637879  0.19275859  0.90362121  1.0
  O  O5  1  0.00000000  0.00000000  -0.00000000  1.0
  O  O6  1  0.09556314  0.19112527  0.40443686  1.0
  O  O7  1  0.40443686  0.80887473  0.09556314  1.0
  O  O8  1  0.80890352  0.61780705  0.19109648  1.0
  O  O9  1  0.19109648  0.38219295  0.80890352  1.0
  O  O10  1  0.59556314  0.19112527  0.90443686  1.0
  O  O11  1  0.90443686  0.80887473  0.59556314  1.0