# generated using pymatgen
data_Sc4Si(B7Ir6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43628448
_cell_length_b   7.67435906
_cell_length_c   13.28376297
_cell_angle_alpha   89.99615780
_cell_angle_beta   90.01244965
_cell_angle_gamma   90.05324596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Si(B7Ir6)2
_chemical_formula_sum   'Sc4 Si1 B14 Ir12'
_cell_volume   350.30968499
_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
  Sc  Sc0  1  0.25108355  0.49864541  0.83365042  1.0
  Sc  Sc1  1  0.25301808  0.00108937  0.33300980  1.0
  Sc  Sc2  1  0.74698192  0.99891063  0.66699020  1.0
  Sc  Sc3  1  0.74891645  0.50135459  0.16634958  1.0
  Si  Si4  1  0.50000000  0.50000000  0.50000000  1.0
  B  B5  1  0.50000000  0.00000000  0.00000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  B  B7  1  0.75571653  0.32300327  0.72746489  1.0
  B  B8  1  0.75343417  0.82464482  0.22302776  1.0
  B  B9  1  0.75336125  0.75243712  0.80097024  1.0
  B  B10  1  0.75726743  0.24771286  0.29752809  1.0
  B  B11  1  0.74960957  0.42756293  0.97517945  1.0
  B  B12  1  0.76379858  0.92363160  0.47573441  1.0
  B  B13  1  0.24656583  0.17535518  0.77697224  1.0
  B  B14  1  0.24428347  0.67699673  0.27253511  1.0
  B  B15  1  0.24273257  0.75228714  0.70247191  1.0
  B  B16  1  0.24663875  0.24756288  0.19902976  1.0
  B  B17  1  0.23620142  0.07636840  0.52426559  1.0
  B  B18  1  0.25039043  0.57243707  0.02482055  1.0
  Ir  Ir19  1  0.74294640  0.58879289  0.67194166  1.0
  Ir  Ir20  1  0.74890537  0.08601460  0.16127211  1.0
  Ir  Ir21  1  0.75103309  0.70768627  0.96164751  1.0
  Ir  Ir22  1  0.73983619  0.20401050  0.45915109  1.0
  Ir  Ir23  1  0.74847364  0.20246780  0.87620940  1.0
  Ir  Ir24  1  0.74546865  0.70930900  0.36957935  1.0
  Ir  Ir25  1  0.25109463  0.91398540  0.83872789  1.0
  Ir  Ir26  1  0.25705360  0.41120711  0.32805834  1.0
  Ir  Ir27  1  0.26016381  0.79598950  0.54084891  1.0
  Ir  Ir28  1  0.24896691  0.29231373  0.03835249  1.0
  Ir  Ir29  1  0.25453135  0.29069100  0.63042065  1.0
  Ir  Ir30  1  0.25152636  0.79753220  0.12379060  1.0