# generated using pymatgen
data_K3BaB23C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28463086
_cell_length_b   7.28463017
_cell_length_c   5.97798608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.36251270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3BaB23C
_chemical_formula_sum   'K3 Ba1 B23 C1'
_cell_volume   297.40330895
_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  0.75171469  0.24816486  0.50000000  1.0
  K  K1  1  0.50097968  0.50097968  0.00000000  1.0
  K  K2  1  0.24816486  0.75171469  0.50000000  1.0
  Ba  Ba3  1  0.99812378  0.99812378  0.00000000  1.0
  B  B4  1  0.18233712  0.33057119  0.64735546  1.0
  B  B5  1  0.92327356  0.57088600  0.15002971  1.0
  B  B6  1  0.66680763  0.81750031  0.64920540  1.0
  B  B7  1  0.43162602  0.08227688  0.14901419  1.0
  B  B8  1  0.18233712  0.33057119  0.35264454  1.0
  B  B9  1  0.92327356  0.57088600  0.84997029  1.0
  B  B10  1  0.66680763  0.81750031  0.35079460  1.0
  B  B11  1  0.43162602  0.08227688  0.85098581  1.0
  B  B12  1  0.15059952  0.65381973  0.00000000  1.0
  B  B13  1  0.89343505  0.89343505  0.50000000  1.0
  B  B14  1  0.65381973  0.15059952  0.00000000  1.0
  B  B15  1  0.33057119  0.18233712  0.64735546  1.0
  B  B16  1  0.08227688  0.43162602  0.14901419  1.0
  B  B17  1  0.81750031  0.66680763  0.64920540  1.0
  B  B18  1  0.57088600  0.92327356  0.15002971  1.0
  B  B19  1  0.10313800  0.10313800  0.50000000  1.0
  B  B20  1  0.85662660  0.34836514  0.00000000  1.0
  B  B21  1  0.58994302  0.58994302  0.50000000  1.0
  B  B22  1  0.34836514  0.85662660  0.00000000  1.0
  B  B23  1  0.33057119  0.18233712  0.35264454  1.0
  B  B24  1  0.08227688  0.43162602  0.85098581  1.0
  B  B25  1  0.81750031  0.66680763  0.35079460  1.0
  B  B26  1  0.57088600  0.92327356  0.84997029  1.0
  C  C27  1  0.39453052  0.39453052  0.50000000  1.0