# generated using pymatgen
data_K(CaB8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15635475
_cell_length_b   4.15635475
_cell_length_c   16.63768832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(CaB8)3
_chemical_formula_sum   'K1 Ca3 B24'
_cell_volume   287.42080384
_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
  Ca  Ca1  1  0.00000000  0.00000000  0.24248405  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.75751595  1.0
  B  B4  1  0.20100458  0.50000000  0.12722375  1.0
  B  B5  1  0.20103226  0.50000000  0.37574756  1.0
  B  B6  1  0.20103226  0.50000000  0.62425244  1.0
  B  B7  1  0.20100458  0.50000000  0.87277625  1.0
  B  B8  1  0.50000000  0.50000000  0.20156852  1.0
  B  B9  1  0.50000000  0.50000000  0.44998226  1.0
  B  B10  1  0.50000000  0.50000000  0.69868491  1.0
  B  B11  1  0.50000000  0.50000000  0.94878291  1.0
  B  B12  1  0.50000000  0.20100458  0.12722375  1.0
  B  B13  1  0.50000000  0.20103226  0.37574756  1.0
  B  B14  1  0.50000000  0.20103226  0.62425244  1.0
  B  B15  1  0.50000000  0.20100458  0.87277625  1.0
  B  B16  1  0.50000000  0.50000000  0.05121709  1.0
  B  B17  1  0.50000000  0.50000000  0.30131509  1.0
  B  B18  1  0.50000000  0.50000000  0.55001774  1.0
  B  B19  1  0.50000000  0.50000000  0.79843148  1.0
  B  B20  1  0.50000000  0.79899542  0.12722375  1.0
  B  B21  1  0.50000000  0.79896774  0.37574756  1.0
  B  B22  1  0.50000000  0.79896774  0.62425244  1.0
  B  B23  1  0.50000000  0.79899542  0.87277625  1.0
  B  B24  1  0.79899542  0.50000000  0.12722375  1.0
  B  B25  1  0.79896774  0.50000000  0.37574756  1.0
  B  B26  1  0.79896774  0.50000000  0.62425244  1.0
  B  B27  1  0.79899542  0.50000000  0.87277625  1.0