# generated using pymatgen
data_NdScB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62223908
_cell_length_b   9.05700880
_cell_length_c   11.48950101
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdScB6Ru
_chemical_formula_sum   'Nd4 Sc4 B24 Ru4'
_cell_volume   376.93205280
_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  0.82165936  0.08508433  1.0
  Nd  Nd1  1  0.00000000  0.17834064  0.91491567  1.0
  Nd  Nd2  1  0.00000000  0.32165936  0.41491567  1.0
  Nd  Nd3  1  0.00000000  0.67834064  0.58508433  1.0
  Sc  Sc4  1  0.00000000  0.44575864  0.12651251  1.0
  Sc  Sc5  1  0.00000000  0.55424136  0.87348749  1.0
  Sc  Sc6  1  0.00000000  0.94575864  0.37348749  1.0
  Sc  Sc7  1  0.00000000  0.05424136  0.62651251  1.0
  B  B8  1  0.50000000  0.05783716  0.07109763  1.0
  B  B9  1  0.50000000  0.94216284  0.92890237  1.0
  B  B10  1  0.50000000  0.55783716  0.42890237  1.0
  B  B11  1  0.50000000  0.44216284  0.57109763  1.0
  B  B12  1  0.50000000  0.25399957  0.08406950  1.0
  B  B13  1  0.50000000  0.74600043  0.91593050  1.0
  B  B14  1  0.50000000  0.75399957  0.41593050  1.0
  B  B15  1  0.50000000  0.24600043  0.58406950  1.0
  B  B16  1  0.50000000  0.29356546  0.23426838  1.0
  B  B17  1  0.50000000  0.70643454  0.76573162  1.0
  B  B18  1  0.50000000  0.79356546  0.26573162  1.0
  B  B19  1  0.50000000  0.20643454  0.73426838  1.0
  B  B20  1  0.50000000  0.12880781  0.31695838  1.0
  B  B21  1  0.50000000  0.87119219  0.68304162  1.0
  B  B22  1  0.50000000  0.62880781  0.18304162  1.0
  B  B23  1  0.50000000  0.37119219  0.81695838  1.0
  B  B24  1  0.50000000  0.48460300  0.28400417  1.0
  B  B25  1  0.50000000  0.51539700  0.71599583  1.0
  B  B26  1  0.50000000  0.98460300  0.21599583  1.0
  B  B27  1  0.50000000  0.01539700  0.78400417  1.0
  B  B28  1  0.50000000  0.09792426  0.47403117  1.0
  B  B29  1  0.50000000  0.90207574  0.52596883  1.0
  B  B30  1  0.50000000  0.59792426  0.02596883  1.0
  B  B31  1  0.50000000  0.40207574  0.97403117  1.0
  Ru  Ru32  1  0.00000000  0.14173799  0.18307923  1.0
  Ru  Ru33  1  0.00000000  0.85826201  0.81692077  1.0
  Ru  Ru34  1  0.00000000  0.64173799  0.31692077  1.0
  Ru  Ru35  1  0.00000000  0.35826201  0.68307923  1.0