# generated using pymatgen
data_BaHf2H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79860573
_cell_length_b   6.79860678
_cell_length_c   6.79860645
_cell_angle_alpha   60.00000159
_cell_angle_beta   59.99999648
_cell_angle_gamma   60.00000554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHf2H7
_chemical_formula_sum   'Ba2 Hf4 H14'
_cell_volume   222.20032754
_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
  Ba  Ba0  1  0.25000000  0.25000000  0.25000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf2  1  0.62500000  0.62500000  0.12500000  1.0
  Hf  Hf3  1  0.62500000  0.12500000  0.62500000  1.0
  Hf  Hf4  1  0.12500000  0.62500000  0.62500000  1.0
  Hf  Hf5  1  0.62500000  0.62500000  0.62500000  1.0
  H  H6  1  0.73180933  0.26819067  0.73180933  1.0
  H  H7  1  0.98180933  0.51819067  0.98180933  1.0
  H  H8  1  0.73180933  0.73180933  0.26819067  1.0
  H  H9  1  0.26819067  0.73180933  0.73180933  1.0
  H  H10  1  0.73180933  0.26819067  0.26819067  1.0
  H  H11  1  0.26819067  0.26819067  0.73180933  1.0
  H  H12  1  0.50000000  0.50000000  0.50000000  1.0
  H  H13  1  0.75000000  0.75000000  0.75000000  1.0
  H  H14  1  0.26819067  0.73180933  0.26819067  1.0
  H  H15  1  0.51819067  0.98180933  0.98180933  1.0
  H  H16  1  0.98180933  0.51819067  0.51819067  1.0
  H  H17  1  0.51819067  0.98180933  0.51819067  1.0
  H  H18  1  0.98180933  0.98180933  0.51819067  1.0
  H  H19  1  0.51819067  0.51819067  0.98180933  1.0