# generated using pymatgen
data_KZrPSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86223200
_cell_length_b   15.22530100
_cell_length_c   18.35260000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrPSe6
_chemical_formula_sum   'K4 Zr4 P4 Se24'
_cell_volume   1079.19977031
_cell_formula_units_Z   4
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  0.00000000  0.10700200  0.82460200  1.0
  K  K1  1  0.00000000  0.89299800  0.32460200  1.0
  K  K2  1  0.00000000  0.45458700  0.81632600  1.0
  K  K3  1  0.00000000  0.54541300  0.31632600  1.0
  Zr  Zr4  1  0.50000000  0.29074600  0.60227600  1.0
  Zr  Zr5  1  0.50000000  0.79720300  0.73382800  1.0
  Zr  Zr6  1  0.50000000  0.20279700  0.23382800  1.0
  Zr  Zr7  1  0.50000000  0.70925400  0.10227600  1.0
  P  P8  1  0.00000000  0.88244000  0.57266200  1.0
  P  P9  1  0.00000000  0.11756000  0.07266200  1.0
  P  P10  1  0.00000000  0.47576000  0.51652100  1.0
  P  P11  1  0.00000000  0.52424000  0.01652100  1.0
  Se  Se12  1  0.50000000  0.78929400  0.57426900  1.0
  Se  Se13  1  0.00000000  0.82847000  0.13492100  1.0
  Se  Se14  1  0.00000000  0.57909400  0.13341100  1.0
  Se  Se15  1  0.00000000  0.38728400  0.99776400  1.0
  Se  Se16  1  0.00000000  0.17153000  0.63492100  1.0
  Se  Se17  1  0.00000000  0.78584200  0.00996500  1.0
  Se  Se18  1  0.00000000  0.42090600  0.63341100  1.0
  Se  Se19  1  0.50000000  0.29596100  0.75422900  1.0
  Se  Se20  1  0.00000000  0.02055500  0.99036200  1.0
  Se  Se21  1  0.00000000  0.07815200  0.19539700  1.0
  Se  Se22  1  0.50000000  0.21070600  0.07426900  1.0
  Se  Se23  1  0.00000000  0.33420400  0.20093400  1.0
  Se  Se24  1  0.50000000  0.07848000  0.33963200  1.0
  Se  Se25  1  0.00000000  0.21415800  0.50996500  1.0
  Se  Se26  1  0.00000000  0.72394900  0.82277300  1.0
  Se  Se27  1  0.00000000  0.27605100  0.32277300  1.0
  Se  Se28  1  0.50000000  0.59705500  0.97061900  1.0
  Se  Se29  1  0.50000000  0.70403900  0.25422900  1.0
  Se  Se30  1  0.00000000  0.97944500  0.49036200  1.0
  Se  Se31  1  0.00000000  0.61271600  0.49776400  1.0
  Se  Se32  1  0.50000000  0.40294500  0.47061900  1.0
  Se  Se33  1  0.00000000  0.92184800  0.69539700  1.0
  Se  Se34  1  0.00000000  0.66579600  0.70093400  1.0
  Se  Se35  1  0.50000000  0.92152000  0.83963200  1.0