# generated using pymatgen
data_NdLuB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67562638
_cell_length_b   9.14327702
_cell_length_c   11.57302093
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdLuB6Ru
_chemical_formula_sum   'Nd4 Lu4 B24 Ru4'
_cell_volume   388.93764177
_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
  Nd  Nd0  1  0.00000000  0.32236554  0.41483076  1.0
  Nd  Nd1  1  0.00000000  0.67763446  0.58516924  1.0
  Nd  Nd2  1  0.00000000  0.82236554  0.08516924  1.0
  Nd  Nd3  1  0.00000000  0.17763446  0.91483076  1.0
  Lu  Lu4  1  0.00000000  0.94477152  0.37231829  1.0
  Lu  Lu5  1  0.00000000  0.05522848  0.62768171  1.0
  Lu  Lu6  1  0.00000000  0.44477152  0.12768171  1.0
  Lu  Lu7  1  0.00000000  0.55522848  0.87231829  1.0
  B  B8  1  0.50000000  0.55717663  0.42934044  1.0
  B  B9  1  0.50000000  0.44282337  0.57065956  1.0
  B  B10  1  0.50000000  0.05717663  0.07065956  1.0
  B  B11  1  0.50000000  0.94282337  0.92934044  1.0
  B  B12  1  0.50000000  0.75136291  0.41656436  1.0
  B  B13  1  0.50000000  0.24863709  0.58343564  1.0
  B  B14  1  0.50000000  0.25136291  0.08343564  1.0
  B  B15  1  0.50000000  0.74863709  0.91656436  1.0
  B  B16  1  0.50000000  0.79142273  0.26615560  1.0
  B  B17  1  0.50000000  0.20857727  0.73384440  1.0
  B  B18  1  0.50000000  0.29142273  0.23384440  1.0
  B  B19  1  0.50000000  0.70857727  0.76615560  1.0
  B  B20  1  0.50000000  0.62996766  0.18434244  1.0
  B  B21  1  0.50000000  0.37003234  0.81565756  1.0
  B  B22  1  0.50000000  0.12996766  0.31565756  1.0
  B  B23  1  0.50000000  0.87003234  0.68434244  1.0
  B  B24  1  0.50000000  0.98561615  0.21473218  1.0
  B  B25  1  0.50000000  0.01438385  0.78526782  1.0
  B  B26  1  0.50000000  0.48561615  0.28526782  1.0
  B  B27  1  0.50000000  0.51438385  0.71473218  1.0
  B  B28  1  0.50000000  0.60113327  0.02722315  1.0
  B  B29  1  0.50000000  0.39886673  0.97277685  1.0
  B  B30  1  0.50000000  0.10113327  0.47277685  1.0
  B  B31  1  0.50000000  0.89886673  0.52722315  1.0
  Ru  Ru32  1  0.00000000  0.64052822  0.31822968  1.0
  Ru  Ru33  1  0.00000000  0.35947178  0.68177032  1.0
  Ru  Ru34  1  0.00000000  0.14052822  0.18177032  1.0
  Ru  Ru35  1  0.00000000  0.85947178  0.81822968  1.0