# generated using pymatgen
data_Ca(HfSe2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50296767
_cell_length_b   7.50296624
_cell_length_c   13.89998906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(HfSe2)8
_chemical_formula_sum   'Ca1 Hf8 Se16'
_cell_volume   677.65899350
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf1  1  0.50232805  0.49767195  0.74404952  1.0
  Hf  Hf2  1  0.49767195  0.50232805  0.25595048  1.0
  Hf  Hf3  1  0.50232805  0.00465409  0.74404952  1.0
  Hf  Hf4  1  0.49767195  0.99534591  0.25595048  1.0
  Hf  Hf5  1  0.99534591  0.49767195  0.74404952  1.0
  Hf  Hf6  1  0.00465409  0.50232805  0.25595048  1.0
  Hf  Hf7  1  0.00000000  0.00000000  0.73785237  1.0
  Hf  Hf8  1  0.00000000  0.00000000  0.26214763  1.0
  Se  Se9  1  0.83334711  0.66669521  0.14198778  1.0
  Se  Se10  1  0.83224019  0.66448038  0.63080787  1.0
  Se  Se11  1  0.83334711  0.16665289  0.14198778  1.0
  Se  Se12  1  0.83224019  0.16775981  0.63080787  1.0
  Se  Se13  1  0.33333300  0.66666700  0.14084713  1.0
  Se  Se14  1  0.33333300  0.66666700  0.63548333  1.0
  Se  Se15  1  0.33330479  0.16665289  0.14198778  1.0
  Se  Se16  1  0.33551962  0.16775981  0.63080787  1.0
  Se  Se17  1  0.66669521  0.83334711  0.85801222  1.0
  Se  Se18  1  0.66448038  0.83224019  0.36919213  1.0
  Se  Se19  1  0.66666700  0.33333300  0.85915287  1.0
  Se  Se20  1  0.66666700  0.33333300  0.36451667  1.0
  Se  Se21  1  0.16665289  0.83334711  0.85801222  1.0
  Se  Se22  1  0.16775981  0.83224019  0.36919213  1.0
  Se  Se23  1  0.16665289  0.33330479  0.85801222  1.0
  Se  Se24  1  0.16775981  0.33551962  0.36919213  1.0