# generated using pymatgen
data_TiBe6Si5Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08805041
_cell_length_b   5.77294751
_cell_length_c   12.26256379
_cell_angle_alpha   90.00008415
_cell_angle_beta   90.00168525
_cell_angle_gamma   89.99992063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe6Si5Ir12
_chemical_formula_sum   'Ti1 Be6 Si5 Ir12'
_cell_volume   289.39773699
_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
  Ti  Ti0  1  0.00000100  0.00000000  0.00000000  1.0
  Be  Be1  1  0.00000100  0.50000100  0.00000000  1.0
  Be  Be2  1  0.49991194  1.00000000  0.16145891  1.0
  Be  Be3  1  0.99999254  0.50000000  0.33676799  1.0
  Be  Be4  1  0.50000000  0.00000000  0.50000000  1.0
  Be  Be5  1  0.00000646  0.50000000  0.66322801  1.0
  Be  Be6  1  0.50008906  0.00000000  0.83855009  1.0
  Si  Si7  1  0.49992791  0.50000000  0.16913382  1.0
  Si  Si8  1  0.99991719  1.00000000  0.33434750  1.0
  Si  Si9  1  0.50000000  0.50000100  0.50000100  1.0
  Si  Si10  1  0.00008381  0.00000000  0.66565250  1.0
  Si  Si11  1  0.50007309  0.50000000  0.83086618  1.0
  Ir  Ir12  1  0.50000100  0.26042041  0.00000000  1.0
  Ir  Ir13  1  0.50000000  0.73957959  1.00000000  1.0
  Ir  Ir14  1  0.99992921  0.25372372  0.17280035  1.0
  Ir  Ir15  1  0.99993021  0.74627628  0.17280035  1.0
  Ir  Ir16  1  0.49993609  0.24952679  0.33606379  1.0
  Ir  Ir17  1  0.49993509  0.75047321  0.33606279  1.0
  Ir  Ir18  1  1.00000000  0.24998340  0.50000000  1.0
  Ir  Ir19  1  0.00000100  0.75001460  0.49999900  1.0
  Ir  Ir20  1  0.50006491  0.24952779  0.66393621  1.0
  Ir  Ir21  1  0.50006591  0.75047421  0.66393621  1.0
  Ir  Ir22  1  0.00007079  0.25372372  0.82719965  1.0
  Ir  Ir23  1  0.00007079  0.74627528  0.82719965  1.0