# generated using pymatgen
data_LiLu4B12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58544996
_cell_length_b   9.02732391
_cell_length_c   11.33875838
_cell_angle_alpha   89.90958645
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLu4B12Ir
_chemical_formula_sum   'Li2 Lu8 B24 Ir2'
_cell_volume   367.00134076
_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
  Li  Li0  1  0.00000000  0.13774012  0.17825233  1.0
  Li  Li1  1  0.00000000  0.86225988  0.82174767  1.0
  Lu  Lu2  1  0.00000000  0.31866752  0.41208024  1.0
  Lu  Lu3  1  0.00000000  0.68133248  0.58791976  1.0
  Lu  Lu4  1  0.00000000  0.82626102  0.08381970  1.0
  Lu  Lu5  1  0.00000000  0.17373898  0.91618030  1.0
  Lu  Lu6  1  0.00000000  0.94579554  0.36923907  1.0
  Lu  Lu7  1  0.00000000  0.05420446  0.63076093  1.0
  Lu  Lu8  1  0.00000000  0.43881785  0.12798670  1.0
  Lu  Lu9  1  0.00000000  0.56118215  0.87201330  1.0
  B  B10  1  0.50000000  0.55333523  0.43420651  1.0
  B  B11  1  0.50000000  0.44666477  0.56579349  1.0
  B  B12  1  0.50000000  0.05091836  0.06469703  1.0
  B  B13  1  0.50000000  0.94908164  0.93530297  1.0
  B  B14  1  0.50000000  0.75199852  0.41967365  1.0
  B  B15  1  0.50000000  0.24800148  0.58032635  1.0
  B  B16  1  0.50000000  0.24848599  0.07936840  1.0
  B  B17  1  0.50000000  0.75151401  0.92063160  1.0
  B  B18  1  0.50000000  0.79471121  0.26323489  1.0
  B  B19  1  0.50000000  0.20528879  0.73676511  1.0
  B  B20  1  0.50000000  0.29284902  0.23714773  1.0
  B  B21  1  0.50000000  0.70715098  0.76285227  1.0
  B  B22  1  0.50000000  0.63032193  0.18434749  1.0
  B  B23  1  0.50000000  0.36967807  0.81565251  1.0
  B  B24  1  0.50000000  0.13282154  0.31691058  1.0
  B  B25  1  0.50000000  0.86717846  0.68308942  1.0
  B  B26  1  0.50000000  0.98126236  0.21117888  1.0
  B  B27  1  0.50000000  0.01873764  0.78882112  1.0
  B  B28  1  0.50000000  0.47866426  0.28743392  1.0
  B  B29  1  0.50000000  0.52133574  0.71256608  1.0
  B  B30  1  0.50000000  0.60554991  0.02887314  1.0
  B  B31  1  0.50000000  0.39445009  0.97112686  1.0
  B  B32  1  0.50000000  0.10502705  0.47078186  1.0
  B  B33  1  0.50000000  0.89497295  0.52921814  1.0
  Ir  Ir34  1  0.00000000  0.63698456  0.32397920  1.0
  Ir  Ir35  1  0.00000000  0.36301544  0.67602080  1.0