# generated using pymatgen
data_K(ThSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.60595405
_cell_length_b   11.60597730
_cell_length_c   11.60599580
_cell_angle_alpha   158.97419119
_cell_angle_beta   152.17541003
_cell_angle_gamma   35.13489485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(ThSe3)2
_chemical_formula_sum   'K1 Th2 Se6'
_cell_volume   261.53120712
_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
  K  K0  1  0.00002616  0.00002933  0.00001154  1.0
  Th  Th1  1  0.32304229  0.82304199  0.50001975  1.0
  Th  Th2  1  0.67696329  0.17695494  0.49999383  1.0
  Se  Se3  1  0.22817170  0.22816022  0.00000709  1.0
  Se  Se4  1  0.35742869  0.60259971  0.75481271  1.0
  Se  Se5  1  0.64256738  0.39744161  0.24515983  1.0
  Se  Se6  1  0.15226590  0.39744547  0.75486192  1.0
  Se  Se7  1  0.84777922  0.60260559  0.24515396  1.0
  Se  Se8  1  0.77175638  0.77172114  -0.00002063  1.0