# generated using pymatgen
data_LiTi6Be5Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20299073
_cell_length_b   5.92333224
_cell_length_c   12.60641297
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99706467
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi6Be5Ir12
_chemical_formula_sum   'Li1 Ti6 Be5 Ir12'
_cell_volume   313.84560730
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.50000100  0.00000000  1.0
  Ti  Ti2  1  0.49966891  0.00000000  0.16606851  1.0
  Ti  Ti3  1  0.99965042  0.50000100  0.33331692  1.0
  Ti  Ti4  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti5  1  0.00035158  0.50000100  0.66668308  1.0
  Ti  Ti6  1  0.50033009  0.00000000  0.83393149  1.0
  Be  Be7  1  0.49934515  0.50000100  0.16624648  1.0
  Be  Be8  1  0.99925375  0.00000000  0.33301163  1.0
  Be  Be9  1  0.50000000  0.50000100  0.50000000  1.0
  Be  Be10  1  0.00074525  0.00000000  0.66698837  1.0
  Be  Be11  1  0.50065685  0.50000100  0.83375352  1.0
  Ir  Ir12  1  0.50000000  0.25335823  0.00000000  1.0
  Ir  Ir13  1  0.50000000  0.74664177  0.00000000  1.0
  Ir  Ir14  1  0.99968066  0.25164038  0.16883399  1.0
  Ir  Ir15  1  0.99968066  0.74836062  0.16883399  1.0
  Ir  Ir16  1  0.49966898  0.25002084  0.33414277  1.0
  Ir  Ir17  1  0.49966898  0.74997916  0.33414277  1.0
  Ir  Ir18  1  0.00000000  0.24983308  0.50000000  1.0
  Ir  Ir19  1  0.00000000  0.75016792  0.50000000  1.0
  Ir  Ir20  1  0.50033102  0.25002084  0.66585723  1.0
  Ir  Ir21  1  0.50033102  0.74997916  0.66585723  1.0
  Ir  Ir22  1  0.00032034  0.25164038  0.83116601  1.0
  Ir  Ir23  1  0.00032034  0.74836062  0.83116601  1.0