# generated using pymatgen
data_K(PSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02867030
_cell_length_b   7.51439754
_cell_length_c   10.05917867
_cell_angle_alpha   89.82763981
_cell_angle_beta   90.00941061
_cell_angle_gamma   91.01204575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(PSe2)3
_chemical_formula_sum   'K2 P6 Se12'
_cell_volume   531.20253623
_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  0.36620378  0.59830749  0.14676510  1
  K  K1  1  0.93659186  0.35510927  0.72415364  1
  P  P2  1  0.77873111  0.11381532  0.07367492  1
  P  P3  1  0.56728858  0.49119687  0.54016292  1
  P  P4  1  0.81448734  0.67533892  0.17039534  1
  P  P5  1  0.18786082  0.98466140  0.51059246  1
  P  P6  1  0.01270535  0.80708098  0.70686376  1
  P  P7  1  0.38459077  0.15344343  0.31334427  1
  Se  Se8  1  0.73444283  0.63109720  0.38409430  1
  Se  Se9  1  0.77965319  0.73537791  0.65864867  1
  Se  Se10  1  0.18482050  0.29606563  0.00420598  1
  Se  Se11  1  0.18345693  0.84718305  0.47519392  1
  Se  Se12  1  0.16922989  0.37193418  0.38131201  1
  Se  Se13  1  0.15696958  0.78002656  0.85199571  1
  Se  Se14  1  0.31545478  0.58544856  0.65959704  1
  Se  Se15  1  0.95125526  0.97712308  0.21595930  1
  Se  Se16  1  0.64406812  0.20868251  0.45297992  1
  Se  Se17  1  0.44778427  0.09016785  0.68904412  1
  Se  Se18  1  0.69379795  0.40055761  0.06722738  1
  Se  Se19  1  0.69060701  0.89738214  0.97378892  1