# generated using pymatgen
data_Ba(HfSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51615914
_cell_length_b   6.51615992
_cell_length_c   8.18822472
_cell_angle_alpha   97.66511987
_cell_angle_beta   97.66512301
_cell_angle_gamma   120.02901513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(HfSe2)3
_chemical_formula_sum   'Ba1 Hf3 Se6'
_cell_volume   290.08927095
_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  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf1  1  0.83442409  0.16557591  1.00000000  1.0
  Hf  Hf2  1  0.50000000  0.50000000  0.00000000  1.0
  Hf  Hf3  1  0.16557591  0.83442409  0.00000000  1.0
  Se  Se4  1  0.23938468  0.23938468  0.20058650  1.0
  Se  Se5  1  0.90057302  0.56176358  0.20033090  1.0
  Se  Se6  1  0.56176358  0.90057302  0.20033090  1.0
  Se  Se7  1  0.43823642  0.09942698  0.79967010  1.0
  Se  Se8  1  0.09942698  0.43823642  0.79967010  1.0
  Se  Se9  1  0.76061732  0.76061732  0.79941450  1.0