# generated using pymatgen
data_YLuB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60434111
_cell_length_b   9.09594233
_cell_length_c   11.46054099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YLuB6Ir
_chemical_formula_sum   'Y4 Lu4 B24 Ir4'
_cell_volume   375.73244843
_cell_formula_units_Z   4
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
  Y  Y0  1  0.00000000  0.32061967  0.41399550  1.0
  Y  Y1  1  0.00000000  0.67938033  0.58600450  1.0
  Y  Y2  1  0.00000000  0.82061967  0.08600450  1.0
  Y  Y3  1  0.00000000  0.17938033  0.91399550  1.0
  Lu  Lu4  1  0.00000000  0.94432458  0.37488555  1.0
  Lu  Lu5  1  0.00000000  0.05567542  0.62511445  1.0
  Lu  Lu6  1  0.00000000  0.44432458  0.12511445  1.0
  Lu  Lu7  1  0.00000000  0.55567542  0.87488555  1.0
  B  B8  1  0.50000000  0.55468745  0.43401666  1.0
  B  B9  1  0.50000000  0.44531255  0.56598334  1.0
  B  B10  1  0.50000000  0.05468745  0.06598334  1.0
  B  B11  1  0.50000000  0.94531255  0.93401666  1.0
  B  B12  1  0.50000000  0.75091092  0.41996034  1.0
  B  B13  1  0.50000000  0.24908908  0.58003966  1.0
  B  B14  1  0.50000000  0.25091092  0.08003966  1.0
  B  B15  1  0.50000000  0.74908908  0.91996034  1.0
  B  B16  1  0.50000000  0.79394401  0.26500821  1.0
  B  B17  1  0.50000000  0.20605599  0.73499079  1.0
  B  B18  1  0.50000000  0.29394401  0.23499179  1.0
  B  B19  1  0.50000000  0.70605599  0.76500921  1.0
  B  B20  1  0.50000000  0.63144067  0.18305898  1.0
  B  B21  1  0.50000000  0.36855933  0.81694102  1.0
  B  B22  1  0.50000000  0.13144067  0.31694102  1.0
  B  B23  1  0.50000000  0.86855933  0.68305898  1.0
  B  B24  1  0.50000000  0.98248256  0.21432318  1.0
  B  B25  1  0.50000000  0.01751744  0.78567682  1.0
  B  B26  1  0.50000000  0.48248256  0.28567682  1.0
  B  B27  1  0.50000000  0.51751744  0.71432318  1.0
  B  B28  1  0.50000000  0.60578286  0.02873623  1.0
  B  B29  1  0.50000000  0.39421714  0.97126377  1.0
  B  B30  1  0.50000000  0.10578286  0.47126377  1.0
  B  B31  1  0.50000000  0.89421714  0.52873623  1.0
  Ir  Ir32  1  0.00000000  0.63961968  0.31942762  1.0
  Ir  Ir33  1  0.00000000  0.36038032  0.68057238  1.0
  Ir  Ir34  1  0.00000000  0.13961968  0.18057238  1.0
  Ir  Ir35  1  0.00000000  0.86038032  0.81942762  1.0