# generated using pymatgen
data_K2YbZr3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80077187
_cell_length_b   7.88595100
_cell_length_c   16.04541931
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YbZr3Se8
_chemical_formula_sum   'K4 Yb2 Zr6 Se16'
_cell_volume   860.52472198
_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  0.32266909  0.00000000  0.00000000  1.0
  K  K1  1  0.64805613  0.50000000  0.50000000  1.0
  K  K2  1  0.01426307  0.00000000  0.50000000  1.0
  K  K3  1  0.98654807  0.50000000  0.00000000  1.0
  Yb  Yb4  1  0.00202480  0.00000000  0.24666348  1.0
  Yb  Yb5  1  0.00202480  0.00000000  0.75333652  1.0
  Zr  Zr6  1  0.99872685  0.50000000  0.25382457  1.0
  Zr  Zr7  1  0.99872685  0.50000000  0.74617543  1.0
  Zr  Zr8  1  0.49954901  0.24521546  0.25041099  1.0
  Zr  Zr9  1  0.49954901  0.75478454  0.74958901  1.0
  Zr  Zr10  1  0.49954901  0.75478454  0.25041099  1.0
  Zr  Zr11  1  0.49954901  0.24521546  0.74958901  1.0
  Se  Se12  1  0.82715512  0.26007336  0.34717273  1.0
  Se  Se13  1  0.82715512  0.73992664  0.65282727  1.0
  Se  Se14  1  0.17795235  0.73282408  0.15368609  1.0
  Se  Se15  1  0.17795235  0.26717592  0.84631391  1.0
  Se  Se16  1  0.17795235  0.26717592  0.15368609  1.0
  Se  Se17  1  0.17795235  0.73282408  0.84631391  1.0
  Se  Se18  1  0.82715512  0.73992664  0.34717273  1.0
  Se  Se19  1  0.82715512  0.26007336  0.65282727  1.0
  Se  Se20  1  0.64457112  0.00000000  0.15245046  1.0
  Se  Se21  1  0.64457112  0.00000000  0.84754954  1.0
  Se  Se22  1  0.33150046  0.50000000  0.34535529  1.0
  Se  Se23  1  0.33150046  0.50000000  0.65464471  1.0
  Se  Se24  1  0.35702764  0.00000000  0.34808755  1.0
  Se  Se25  1  0.35702764  0.00000000  0.65191245  1.0
  Se  Se26  1  0.67107048  0.50000000  0.15761136  1.0
  Se  Se27  1  0.67107048  0.50000000  0.84238864  1.0