# generated using pymatgen
data_TiBe3(SiIr3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11979037
_cell_length_b   5.78476327
_cell_length_c   12.33438021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00902483
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe3(SiIr3)2
_chemical_formula_sum   'Ti2 Be6 Si4 Ir12'
_cell_volume   293.95309335
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.00014370  0.50000100  0.99706116  1.0
  Ti  Ti1  1  0.49980455  0.00000000  0.16961313  1.0
  Be  Be2  1  0.00018418  0.00000000  0.00914870  1.0
  Be  Be3  1  0.49961975  0.50000100  0.15752932  1.0
  Be  Be4  1  0.99961929  0.00000000  0.33264620  1.0
  Be  Be5  1  0.49999523  0.50000100  0.50333368  1.0
  Be  Be6  1  0.00004053  0.00000000  0.66333153  1.0
  Be  Be7  1  0.50038627  0.50000100  0.83401866  1.0
  Si  Si8  1  0.99983808  0.50000100  0.33814218  1.0
  Si  Si9  1  0.49995093  0.00000000  0.50057623  1.0
  Si  Si10  1  0.00012072  0.50000100  0.66609295  1.0
  Si  Si11  1  0.50018266  0.00000000  0.82852325  1.0
  Ir  Ir12  1  0.50015078  0.24304670  0.99234302  1.0
  Ir  Ir13  1  0.50015078  0.75695330  0.99234302  1.0
  Ir  Ir14  1  0.99980288  0.25695495  0.17431506  1.0
  Ir  Ir15  1  0.99980288  0.74304405  0.17431506  1.0
  Ir  Ir16  1  0.49984356  0.25463445  0.34177468  1.0
  Ir  Ir17  1  0.49984356  0.74536555  0.34177468  1.0
  Ir  Ir18  1  0.99997064  0.24953390  0.50273844  1.0
  Ir  Ir19  1  0.99997064  0.75046510  0.50273844  1.0
  Ir  Ir20  1  0.50010102  0.25047082  0.66392948  1.0
  Ir  Ir21  1  0.50010102  0.74952918  0.66392948  1.0
  Ir  Ir22  1  0.00018967  0.24535985  0.82489032  1.0
  Ir  Ir23  1  0.00018967  0.75463915  0.82489032  1.0