# generated using pymatgen
data_K2CaB17C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10345350
_cell_length_b   4.18198505
_cell_length_c   12.55283288
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaB17C
_chemical_formula_sum   'K2 Ca1 B17 C1'
_cell_volume   215.41390812
_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  0.00121369  0.00000000  0.33131620  1.0
  K  K1  1  0.00121369  0.00000000  0.66868380  1.0
  Ca  Ca2  1  0.99653910  0.00000000  0.00000000  1.0
  B  B3  1  0.19549540  0.50000000  0.16440311  1.0
  B  B4  1  0.19549540  0.50000000  0.83559689  1.0
  B  B5  1  0.49411208  0.50000000  0.26427353  1.0
  B  B6  1  0.50586532  0.50000000  0.59959977  1.0
  B  B7  1  0.49618259  0.50000000  0.93456298  1.0
  B  B8  1  0.49622416  0.20029207  0.16400232  1.0
  B  B9  1  0.50170113  0.20413497  0.50000000  1.0
  B  B10  1  0.49622416  0.20029207  0.83599768  1.0
  B  B11  1  0.49618259  0.50000000  0.06543702  1.0
  B  B12  1  0.50586532  0.50000000  0.40040023  1.0
  B  B13  1  0.49411208  0.50000000  0.73572647  1.0
  B  B14  1  0.49622416  0.79970793  0.16400232  1.0
  B  B15  1  0.50170113  0.79586503  0.50000000  1.0
  B  B16  1  0.49622416  0.79970793  0.83599768  1.0
  B  B17  1  0.79593267  0.50000000  0.16461581  1.0
  B  B18  1  0.81402980  0.50000000  0.50000000  1.0
  B  B19  1  0.79593267  0.50000000  0.83538419  1.0
  C  C20  1  0.22352871  0.50000000  0.50000000  1.0