# generated using pymatgen
data_CaHf(NbSe2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02514776
_cell_length_b   7.02514686
_cell_length_c   13.99987625
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf(NbSe2)8
_chemical_formula_sum   'Ca1 Hf1 Nb8 Se16'
_cell_volume   598.36436566
_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  0.50000000  1.0
  Hf  Hf1  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.23509370  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.76490630  1.0
  Nb  Nb4  1  0.50805274  0.01610548  0.23511256  1.0
  Nb  Nb5  1  0.98389452  0.49194726  0.23511256  1.0
  Nb  Nb6  1  0.50805274  0.49194726  0.23511256  1.0
  Nb  Nb7  1  0.49194726  0.98389452  0.76488744  1.0
  Nb  Nb8  1  0.01610548  0.50805274  0.76488744  1.0
  Nb  Nb9  1  0.49194726  0.50805274  0.76488744  1.0
  Se  Se10  1  0.33333300  0.66666700  0.88723618  1.0
  Se  Se11  1  0.66666700  0.33333300  0.11276382  1.0
  Se  Se12  1  0.66666700  0.33333300  0.35794648  1.0
  Se  Se13  1  0.33333300  0.66666700  0.64205352  1.0
  Se  Se14  1  0.16891653  0.83108347  0.35240848  1.0
  Se  Se15  1  0.16891653  0.33783205  0.35240848  1.0
  Se  Se16  1  0.66216795  0.83108347  0.35240848  1.0
  Se  Se17  1  0.83108347  0.16891653  0.64759152  1.0
  Se  Se18  1  0.83108347  0.66216795  0.64759152  1.0
  Se  Se19  1  0.33783205  0.16891653  0.64759152  1.0
  Se  Se20  1  0.83050451  0.16949549  0.88330743  1.0
  Se  Se21  1  0.83050451  0.66101101  0.88330743  1.0
  Se  Se22  1  0.33898899  0.16949549  0.88330743  1.0
  Se  Se23  1  0.16949549  0.83050451  0.11669257  1.0
  Se  Se24  1  0.16949549  0.33898899  0.11669257  1.0
  Se  Se25  1  0.66101101  0.83050451  0.11669257  1.0