# generated using pymatgen
data_Mg3Sc5(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46436580
_cell_length_b   8.81436301
_cell_length_c   11.09475874
_cell_angle_alpha   90.11402438
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Sc5(B6Ru)4
_chemical_formula_sum   'Mg3 Sc5 B24 Ru4'
_cell_volume   338.79085465
_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
  Mg  Mg0  1  0.00000000  0.94476129  0.37142046  1.0
  Mg  Mg1  1  0.00000000  0.05629910  0.62936335  1.0
  Mg  Mg2  1  0.00000000  0.55502948  0.87407307  1.0
  Sc  Sc3  1  0.00000000  0.17863858  0.91346555  1.0
  Sc  Sc4  1  0.00000000  0.82024934  0.08255806  1.0
  Sc  Sc5  1  0.00000000  0.67353073  0.58908376  1.0
  Sc  Sc6  1  0.00000000  0.32537946  0.41542598  1.0
  Sc  Sc7  1  0.00000000  0.44428068  0.12759389  1.0
  B  B8  1  0.50000000  0.37061114  0.81732295  1.0
  B  B9  1  0.50000000  0.97884585  0.21215944  1.0
  B  B10  1  0.50000000  0.55571167  0.43542790  1.0
  B  B11  1  0.50000000  0.29366007  0.23741202  1.0
  B  B12  1  0.50000000  0.20573323  0.73737573  1.0
  B  B13  1  0.50000000  0.09438401  0.47424853  1.0
  B  B14  1  0.50000000  0.79544731  0.26266177  1.0
  B  B15  1  0.50000000  0.44472617  0.56520536  1.0
  B  B16  1  0.50000000  0.24448565  0.57850031  1.0
  B  B17  1  0.50000000  0.48120492  0.28781375  1.0
  B  B18  1  0.50000000  0.70569697  0.76209291  1.0
  B  B19  1  0.50000000  0.75574516  0.42189340  1.0
  B  B20  1  0.50000000  0.51951602  0.71264281  1.0
  B  B21  1  0.50000000  0.90553891  0.52617366  1.0
  B  B22  1  0.50000000  0.05328933  0.06547269  1.0
  B  B23  1  0.50000000  0.60057246  0.02635903  1.0
  B  B24  1  0.50000000  0.74653645  0.91911551  1.0
  B  B25  1  0.50000000  0.02138892  0.78759419  1.0
  B  B26  1  0.50000000  0.39999907  0.97189849  1.0
  B  B27  1  0.50000000  0.94572432  0.93360688  1.0
  B  B28  1  0.50000000  0.63110302  0.18220322  1.0
  B  B29  1  0.50000000  0.25219715  0.07918447  1.0
  B  B30  1  0.50000000  0.87117329  0.68081348  1.0
  B  B31  1  0.50000000  0.12846924  0.31953913  1.0
  Ru  Ru32  1  0.00000000  0.13866544  0.18182741  1.0
  Ru  Ru33  1  0.00000000  0.35957050  0.67844950  1.0
  Ru  Ru34  1  0.00000000  0.86054961  0.81833713  1.0
  Ru  Ru35  1  0.00000000  0.64127944  0.32168921  1.0