# generated using pymatgen
data_Mg3Zr(B6Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85621695
_cell_length_b   11.08352827
_cell_length_c   3.46247103
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.12664235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Zr(B6Ru)2
_chemical_formula_sum   'Mg6 Zr2 B24 Ru4'
_cell_volume   339.86885437
_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
  Mg  Mg0  1  0.81971230  0.09205161  0.00000000  1.0
  Mg  Mg1  1  0.44646242  0.13256561  0.00000000  1.0
  Mg  Mg2  1  0.94413263  0.37040830  0.00000000  1.0
  Mg  Mg3  1  0.32956910  0.41010427  0.00000000  1.0
  Mg  Mg4  1  0.67353112  0.58146090  0.00000000  1.0
  Mg  Mg5  1  0.05480735  0.62453512  0.00000000  1.0
  Zr  Zr6  1  0.55628248  0.87093400  0.00000000  1.0
  Zr  Zr7  1  0.17714668  0.91886193  0.00000000  1.0
  B  B8  1  0.59871798  0.02930614  0.50000100  1.0
  B  B9  1  0.05474851  0.06567883  0.50000100  1.0
  B  B10  1  0.25370560  0.08151090  0.50000100  1.0
  B  B11  1  0.63059484  0.18417919  0.50000100  1.0
  B  B12  1  0.97855087  0.21202466  0.50000100  1.0
  B  B13  1  0.29604725  0.23860356  0.50000100  1.0
  B  B14  1  0.79545274  0.26166032  0.50000100  1.0
  B  B15  1  0.48048592  0.28812050  0.50000100  1.0
  B  B16  1  0.13008415  0.31805866  0.50000100  1.0
  B  B17  1  0.75727091  0.42063408  0.50000100  1.0
  B  B18  1  0.55412824  0.43593878  0.50000100  1.0
  B  B19  1  0.09336330  0.47325103  0.50000100  1.0
  B  B20  1  0.90911911  0.52370014  0.50000100  1.0
  B  B21  1  0.44392864  0.56390378  0.50000100  1.0
  B  B22  1  0.24379517  0.57715880  0.50000100  1.0
  B  B23  1  0.87146886  0.67802925  0.50000100  1.0
  B  B24  1  0.51785318  0.71026688  0.50000100  1.0
  B  B25  1  0.20237922  0.73703503  0.50000100  1.0
  B  B26  1  0.70765044  0.76098387  0.50000100  1.0
  B  B27  1  0.01932517  0.78727276  0.50000100  1.0
  B  B28  1  0.36651175  0.81794235  0.50000100  1.0
  B  B29  1  0.74909906  0.92142004  0.50000100  1.0
  B  B30  1  0.94614044  0.93521621  0.50000100  1.0
  B  B31  1  0.39968695  0.97488215  0.50000100  1.0
  Ru  Ru32  1  0.14033168  0.17947025  0.00000000  1.0
  Ru  Ru33  1  0.64087710  0.32556619  0.00000000  1.0
  Ru  Ru34  1  0.35467691  0.68007923  0.00000000  1.0
  Ru  Ru35  1  0.86235095  0.81719167  0.00000000  1.0