# generated using pymatgen
data_Lu4B16Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52480614
_cell_length_b   5.89626034
_cell_length_c   11.44676337
_cell_angle_alpha   89.88226382
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4B16Ir3Ru
_chemical_formula_sum   'Lu4 B16 Ir3 Ru1'
_cell_volume   237.89957976
_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
  Lu  Lu0  1  0.00000000  0.63286723  0.35371974  1.0
  Lu  Lu1  1  0.00000000  0.36970811  0.64855258  1.0
  Lu  Lu2  1  0.00000000  0.13253628  0.14883485  1.0
  Lu  Lu3  1  0.00000000  0.86631839  0.84751069  1.0
  B  B4  1  0.50000000  0.79198934  0.18916038  1.0
  B  B5  1  0.50000000  0.20839612  0.81077906  1.0
  B  B6  1  0.50000000  0.29381719  0.31232243  1.0
  B  B7  1  0.50000000  0.70808708  0.68642913  1.0
  B  B8  1  0.50000000  0.86350988  0.02794756  1.0
  B  B9  1  0.50000000  0.13617028  0.97204176  1.0
  B  B10  1  0.50000000  0.36378726  0.47136945  1.0
  B  B11  1  0.50000000  0.63492758  0.53054940  1.0
  B  B12  1  0.50000000  0.88615065  0.45409794  1.0
  B  B13  1  0.50000000  0.11155548  0.54886924  1.0
  B  B14  1  0.50000000  0.38741139  0.04814893  1.0
  B  B15  1  0.50000000  0.61283761  0.95124199  1.0
  B  B16  1  0.50000000  0.97433828  0.30757833  1.0
  B  B17  1  0.50000000  0.02157932  0.69341589  1.0
  B  B18  1  0.50000000  0.47808600  0.19432071  1.0
  B  B19  1  0.50000000  0.52117870  0.80571841  1.0
  Ir  Ir20  1  0.00000000  0.64773173  0.09776649  1.0
  Ir  Ir21  1  0.00000000  0.35243379  0.90343418  1.0
  Ir  Ir22  1  0.00000000  0.14634898  0.40183132  1.0
  Ru  Ru23  1  0.00000000  0.85823436  0.59435954  1.0