# generated using pymatgen
data_K(ThB8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15039034
_cell_length_b   7.15039053
_cell_length_c   5.82454340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.54186014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(ThB8)3
_chemical_formula_sum   'K1 Th3 B24'
_cell_volume   280.64380490
_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  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.75223863  0.24776137  0.50000000  1.0
  Th  Th2  1  0.50000000  0.50000000  0.00000000  1.0
  Th  Th3  1  0.24776137  0.75223863  0.50000000  1.0
  B  B4  1  0.17601845  0.32618350  0.65101306  1.0
  B  B5  1  0.92398318  0.57440647  0.15076853  1.0
  B  B6  1  0.67381650  0.82398155  0.65101306  1.0
  B  B7  1  0.42559353  0.07601682  0.15076853  1.0
  B  B8  1  0.17601845  0.32618350  0.34898694  1.0
  B  B9  1  0.92398318  0.57440647  0.84923147  1.0
  B  B10  1  0.67381650  0.82398155  0.34898694  1.0
  B  B11  1  0.42559353  0.07601682  0.84923147  1.0
  B  B12  1  0.40141215  0.40141215  0.50000000  1.0
  B  B13  1  0.14989123  0.65134379  0.00000000  1.0
  B  B14  1  0.89970715  0.89970715  0.50000000  1.0
  B  B15  1  0.65134379  0.14989123  0.00000000  1.0
  B  B16  1  0.32618350  0.17601845  0.65101306  1.0
  B  B17  1  0.07601682  0.42559353  0.15076853  1.0
  B  B18  1  0.82398155  0.67381650  0.65101306  1.0
  B  B19  1  0.57440647  0.92398318  0.15076853  1.0
  B  B20  1  0.10029285  0.10029285  0.50000000  1.0
  B  B21  1  0.85010877  0.34865621  0.00000000  1.0
  B  B22  1  0.59858785  0.59858785  0.50000000  1.0
  B  B23  1  0.34865621  0.85010877  0.00000000  1.0
  B  B24  1  0.32618350  0.17601845  0.34898694  1.0
  B  B25  1  0.07601682  0.42559353  0.84923147  1.0
  B  B26  1  0.82398155  0.67381650  0.34898694  1.0
  B  B27  1  0.57440647  0.92398318  0.84923147  1.0