# generated using pymatgen
data_K2Hf3ZrSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53685007
_cell_length_b   7.55180875
_cell_length_c   16.28909989
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Hf3ZrSe8
_chemical_formula_sum   'K4 Hf6 Zr2 Se16'
_cell_volume   804.11209238
_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
  K  K0  1  0.35132199  0.00000000  0.00000000  1.0
  K  K1  1  0.65743681  0.50000000  0.50000000  1.0
  K  K2  1  0.02316322  0.00000000  0.50000000  1.0
  K  K3  1  0.97968327  0.50000000  0.00000000  1.0
  Hf  Hf4  1  0.00049583  0.00000000  0.24879668  1.0
  Hf  Hf5  1  0.00049583  0.00000000  0.75120332  1.0
  Hf  Hf6  1  0.49969501  0.25134874  0.24982584  1.0
  Hf  Hf7  1  0.49969501  0.74865126  0.75017416  1.0
  Hf  Hf8  1  0.49969501  0.74865126  0.24982584  1.0
  Hf  Hf9  1  0.49969501  0.25134874  0.75017416  1.0
  Zr  Zr10  1  0.99847567  0.50000000  0.25090103  1.0
  Zr  Zr11  1  0.99847567  0.50000000  0.74909897  1.0
  Se  Se12  1  0.83197326  0.24535399  0.34762666  1.0
  Se  Se13  1  0.83197326  0.75464601  0.65237334  1.0
  Se  Se14  1  0.16710329  0.75195461  0.15212137  1.0
  Se  Se15  1  0.16710329  0.24804539  0.84787863  1.0
  Se  Se16  1  0.16710329  0.24804539  0.15212137  1.0
  Se  Se17  1  0.16710329  0.75195461  0.84787863  1.0
  Se  Se18  1  0.83197326  0.75464601  0.34762666  1.0
  Se  Se19  1  0.83197326  0.24535399  0.65237334  1.0
  Se  Se20  1  0.66895547  0.00000000  0.15402935  1.0
  Se  Se21  1  0.66895547  0.00000000  0.84597065  1.0
  Se  Se22  1  0.33660120  0.50000000  0.34727607  1.0
  Se  Se23  1  0.33660120  0.50000000  0.65272393  1.0
  Se  Se24  1  0.33434673  0.00000000  0.34488553  1.0
  Se  Se25  1  0.33434673  0.00000000  0.65511447  1.0
  Se  Se26  1  0.65777784  0.50000000  0.15287180  1.0
  Se  Se27  1  0.65777784  0.50000000  0.84712820  1.0