# generated using pymatgen
data_Y3Mg5(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52959129
_cell_length_b   8.87576932
_cell_length_c   11.19786034
_cell_angle_alpha   89.90037766
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Mg5(B6Ru)4
_chemical_formula_sum   'Y3 Mg5 B24 Ru4'
_cell_volume   350.80422489
_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
  Y  Y0  1  0.00000000  0.32178982  0.41472768  1.0
  Y  Y1  1  0.00000000  0.67664589  0.58712697  1.0
  Y  Y2  1  0.00000000  0.82282605  0.08404482  1.0
  Mg  Mg3  1  0.00000000  0.16879660  0.91244250  1.0
  Mg  Mg4  1  0.00000000  0.94515019  0.36937897  1.0
  Mg  Mg5  1  0.00000000  0.05850032  0.63093079  1.0
  Mg  Mg6  1  0.00000000  0.44520624  0.12797938  1.0
  Mg  Mg7  1  0.00000000  0.55788778  0.87130339  1.0
  B  B8  1  0.50000000  0.55530195  0.43249171  1.0
  B  B9  1  0.50000000  0.44300921  0.56918980  1.0
  B  B10  1  0.50000000  0.05567556  0.06478517  1.0
  B  B11  1  0.50000000  0.94523997  0.93215141  1.0
  B  B12  1  0.50000000  0.75600732  0.41764209  1.0
  B  B13  1  0.50000000  0.24397234  0.58495227  1.0
  B  B14  1  0.50000000  0.25649947  0.07841925  1.0
  B  B15  1  0.50000000  0.74494315  0.91670143  1.0
  B  B16  1  0.50000000  0.79461534  0.26261521  1.0
  B  B17  1  0.50000000  0.20423583  0.74008658  1.0
  B  B18  1  0.50000000  0.29398922  0.23584177  1.0
  B  B19  1  0.50000000  0.70577585  0.76341243  1.0
  B  B20  1  0.50000000  0.62829891  0.18208942  1.0
  B  B21  1  0.50000000  0.36915835  0.82171701  1.0
  B  B22  1  0.50000000  0.12851455  0.31664753  1.0
  B  B23  1  0.50000000  0.87236176  0.68258715  1.0
  B  B24  1  0.50000000  0.98232558  0.21185009  1.0
  B  B25  1  0.50000000  0.02115679  0.78843356  1.0
  B  B26  1  0.50000000  0.48116735  0.28613816  1.0
  B  B27  1  0.50000000  0.51817369  0.71454054  1.0
  B  B28  1  0.50000000  0.59208528  0.02464267  1.0
  B  B29  1  0.50000000  0.40685528  0.97484883  1.0
  B  B30  1  0.50000000  0.09232843  0.47521586  1.0
  B  B31  1  0.50000000  0.90762699  0.52540551  1.0
  Ru  Ru32  1  0.00000000  0.64132109  0.31865929  1.0
  Ru  Ru33  1  0.00000000  0.35943523  0.68607091  1.0
  Ru  Ru34  1  0.00000000  0.14247182  0.17747349  1.0
  Ru  Ru35  1  0.00000000  0.86065184  0.81745536  1.0