# generated using pymatgen
data_LuNb2B2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47724832
_cell_length_b   9.47724841
_cell_length_c   3.06812027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.73684121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNb2B2Ru5
_chemical_formula_sum   'Lu2 Nb4 B4 Ru10'
_cell_volume   275.57024529
_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
  Lu  Lu0  1  0.17526103  0.17526103  0.00000000  1.0
  Lu  Lu1  1  0.82473897  0.82473897  0.00000000  1.0
  Nb  Nb2  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.00000000  1.0
  Nb  Nb4  1  0.67589562  0.32410438  0.00000000  1.0
  Nb  Nb5  1  0.32410438  0.67589562  0.00000000  1.0
  B  B6  1  0.37862129  0.37862129  0.00000000  1.0
  B  B7  1  0.62137871  0.62137871  0.00000000  1.0
  B  B8  1  0.88009719  0.11990281  0.00000000  1.0
  B  B9  1  0.11990281  0.88009719  0.00000000  1.0
  Ru  Ru10  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru11  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru12  1  0.43713000  0.22182525  0.50000000  1.0
  Ru  Ru13  1  0.56287000  0.77817475  0.50000000  1.0
  Ru  Ru14  1  0.92040213  0.28473656  0.50000000  1.0
  Ru  Ru15  1  0.07959787  0.71526344  0.50000000  1.0
  Ru  Ru16  1  0.71526344  0.07959787  0.50000000  1.0
  Ru  Ru17  1  0.28473656  0.92040213  0.50000000  1.0
  Ru  Ru18  1  0.77817475  0.56287000  0.50000000  1.0
  Ru  Ru19  1  0.22182525  0.43713000  0.50000000  1.0