# generated using pymatgen
data_KB4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62460407
_cell_length_b   7.62460470
_cell_length_c   8.29870346
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.09542342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB4Ir3
_chemical_formula_sum   'K4 B16 Ir12'
_cell_volume   478.74710846
_cell_formula_units_Z   4
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  0.99877165  0.00122835  0.50000000  1.0
  K  K1  1  0.49877165  0.50122835  0.50000000  1.0
  K  K2  1  0.20153185  0.29846815  0.78390205  1.0
  K  K3  1  0.70153185  0.79846815  0.21609795  1.0
  B  B4  1  0.15581487  0.15953507  0.18264308  1.0
  B  B5  1  0.84046493  0.84418513  0.81735692  1.0
  B  B6  1  0.65581487  0.65953507  0.81735692  1.0
  B  B7  1  0.34046493  0.34418513  0.18264308  1.0
  B  B8  1  0.90799196  0.41290258  0.49965850  1.0
  B  B9  1  0.58709742  0.09200804  0.50034150  1.0
  B  B10  1  0.08709742  0.59200804  0.49965850  1.0
  B  B11  1  0.40799196  0.91290258  0.50034150  1.0
  B  B12  1  0.21373007  0.94646456  0.16147402  1.0
  B  B13  1  0.05353544  0.78626993  0.83852598  1.0
  B  B14  1  0.44258210  0.71704474  0.83809835  1.0
  B  B15  1  0.28295526  0.55741790  0.16190165  1.0
  B  B16  1  0.78295526  0.05741790  0.83809835  1.0
  B  B17  1  0.94258210  0.21704474  0.16190165  1.0
  B  B18  1  0.55353544  0.28626993  0.16147402  1.0
  B  B19  1  0.71373007  0.44646456  0.83852598  1.0
  Ir  Ir20  1  0.10495260  0.39504740  0.30793148  1.0
  Ir  Ir21  1  0.60495260  0.89504740  0.69206852  1.0
  Ir  Ir22  1  0.89081373  0.60918627  0.69175019  1.0
  Ir  Ir23  1  0.39081373  0.10918627  0.30824981  1.0
  Ir  Ir24  1  0.74851116  0.25148884  0.00000000  1.0
  Ir  Ir25  1  0.24851116  0.75148884  0.00000000  1.0
  Ir  Ir26  1  0.99897752  0.00102248  0.00000000  1.0
  Ir  Ir27  1  0.49897752  0.50102248  0.00000000  1.0
  Ir  Ir28  1  0.74748363  0.25221317  0.66567026  1.0
  Ir  Ir29  1  0.74778683  0.25251637  0.33432974  1.0
  Ir  Ir30  1  0.24748363  0.75221317  0.33432974  1.0
  Ir  Ir31  1  0.24778683  0.75251637  0.66567026  1.0