# generated using pymatgen
data_LiLu3(B4Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01417281
_cell_length_b   8.47203024
_cell_length_c   10.05455049
_cell_angle_alpha   88.72082564
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLu3(B4Ru5)2
_chemical_formula_sum   'Li1 Lu3 B8 Ru10'
_cell_volume   256.69065672
_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  0.50000000  0.85575267  0.19979669  1.0
  Lu  Lu1  1  0.50000000  0.15279723  0.82918014  1.0
  Lu  Lu2  1  0.50000000  0.65777053  0.67713364  1.0
  Lu  Lu3  1  0.50000000  0.34806776  0.30913774  1.0
  B  B4  1  0.50000000  0.96536934  0.59112878  1.0
  B  B5  1  0.50000000  0.03517749  0.41031804  1.0
  B  B6  1  0.50000000  0.84715128  0.90512551  1.0
  B  B7  1  0.50000000  0.13399964  0.10357563  1.0
  B  B8  1  0.50000000  0.65639599  0.38837983  1.0
  B  B9  1  0.50000000  0.35235132  0.59624412  1.0
  B  B10  1  0.50000000  0.46200367  0.90914889  1.0
  B  B11  1  0.50000000  0.54254389  0.08691543  1.0
  Ru  Ru12  1  0.00000000  0.65075134  0.94675721  1.0
  Ru  Ru13  1  0.00000000  0.33855610  0.04597627  1.0
  Ru  Ru14  1  0.00000000  0.84455063  0.45776877  1.0
  Ru  Ru15  1  0.00000000  0.15890792  0.54623896  1.0
  Ru  Ru16  1  0.00000000  0.98119549  0.01055290  1.0
  Ru  Ru17  1  0.00000000  0.40188525  0.75769847  1.0
  Ru  Ru18  1  0.00000000  0.61706554  0.23132488  1.0
  Ru  Ru19  1  0.00000000  0.50224958  0.49386557  1.0
  Ru  Ru20  1  0.00000000  0.90442043  0.74217823  1.0
  Ru  Ru21  1  0.00000000  0.09103490  0.26155629  1.0