# generated using pymatgen
data_LiYb(Nb2B5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19825963
_cell_length_b   7.05642001
_cell_length_c   7.43574334
_cell_angle_alpha   94.05394235
_cell_angle_beta   102.06728937
_cell_angle_gamma   116.02474690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYb(Nb2B5)4
_chemical_formula_sum   'Li1 Yb1 Nb8 B20'
_cell_volume   280.86307706
_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  0.99966782  0.99970079  0.00040515  1.0
  Yb  Yb1  1  0.50095050  0.80088676  0.39957364  1.0
  Nb  Nb2  1  0.50306209  0.00506621  0.99998167  1.0
  Nb  Nb3  1  0.00191121  0.39994063  0.19885752  1.0
  Nb  Nb4  1  0.50131311  0.19762085  0.60169274  1.0
  Nb  Nb5  1  0.99770857  0.79644880  0.40078773  1.0
  Nb  Nb6  1  0.50011060  0.59630014  0.79874872  1.0
  Nb  Nb7  1  0.49741834  0.40040580  0.19792158  1.0
  Nb  Nb8  1  0.00089130  0.20261005  0.60248500  1.0
  Nb  Nb9  1  0.99725265  0.60096606  0.80072839  1.0
  B  B10  1  0.32877708  0.22910747  0.86954141  1.0
  B  B11  1  0.33283936  0.63398909  0.06388038  1.0
  B  B12  1  0.16548198  0.36233093  0.93641149  1.0
  B  B13  1  0.32994675  0.03600945  0.26318368  1.0
  B  B14  1  0.16395771  0.77035497  0.12616586  1.0
  B  B15  1  0.83529019  0.22914801  0.87047212  1.0
  B  B16  1  0.16486197  0.16566547  0.32655996  1.0
  B  B17  1  0.83573881  0.64018078  0.06206964  1.0
  B  B18  1  0.33168174  0.43028821  0.46564719  1.0
  B  B19  1  0.66770612  0.36763573  0.93305179  1.0
  B  B20  1  0.83689814  0.03622502  0.26149650  1.0
  B  B21  1  0.66996715  0.76973038  0.12735337  1.0
  B  B22  1  0.33338287  0.83389327  0.66949561  1.0
  B  B23  1  0.16622407  0.56585761  0.53509826  1.0
  B  B24  1  0.66669457  0.16751401  0.33265247  1.0
  B  B25  1  0.83207356  0.43173178  0.46731474  1.0
  B  B26  1  0.16435564  0.96517233  0.73966107  1.0
  B  B27  1  0.83608446  0.83238361  0.67362675  1.0
  B  B28  1  0.66746658  0.56581473  0.53483363  1.0
  B  B29  1  0.67028204  0.96702308  0.74030393  1.0