# generated using pymatgen
data_Cs(HfSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50097571
_cell_length_b   6.50097499
_cell_length_c   9.25647535
_cell_angle_alpha   96.71379320
_cell_angle_beta   96.71379314
_cell_angle_gamma   119.97673720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs(HfSe2)3
_chemical_formula_sum   'Cs1 Hf3 Se6'
_cell_volume   329.48469581
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf1  1  0.83351565  0.16648435  1.00000000  1.0
  Hf  Hf2  1  0.50000000  0.50000000  0.00000000  1.0
  Hf  Hf3  1  0.16648435  0.83351565  0.00000000  1.0
  Se  Se4  1  0.22626895  0.22626895  0.17473873  1.0
  Se  Se5  1  0.89160219  0.55666119  0.17495007  1.0
  Se  Se6  1  0.55666119  0.89160219  0.17495007  1.0
  Se  Se7  1  0.44333881  0.10839781  0.82505093  1.0
  Se  Se8  1  0.10839781  0.44333881  0.82505093  1.0
  Se  Se9  1  0.77373305  0.77373305  0.82526227  1.0