# generated using pymatgen
data_Mg3Zr5(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87415857
_cell_length_b   11.15266627
_cell_length_c   3.47809967
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.87531039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Zr5(B6Ru)4
_chemical_formula_sum   'Mg3 Zr5 B24 Ru4'
_cell_volume   344.22854879
_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  0.44315498  0.63017954  0.00000000  1.0
  Mg  Mg1  1  0.94660348  0.87205623  0.00000000  1.0
  Mg  Mg2  1  0.31777383  0.91093189  0.00000000  1.0
  Zr  Zr3  1  0.68207975  0.08528396  0.00000000  1.0
  Zr  Zr4  1  0.05669788  0.12327527  0.00000000  1.0
  Zr  Zr5  1  0.55524333  0.37585333  0.00000000  1.0
  Zr  Zr6  1  0.18102060  0.41694040  0.00000000  1.0
  Zr  Zr7  1  0.81915864  0.58935693  0.00000000  1.0
  B  B8  1  0.89657849  0.02641582  0.50000000  1.0
  B  B9  1  0.44621214  0.06293978  0.50000000  1.0
  B  B10  1  0.25007476  0.07495040  0.50000000  1.0
  B  B11  1  0.86880933  0.18076665  0.50000000  1.0
  B  B12  1  0.52042329  0.21137146  0.50000000  1.0
  B  B13  1  0.20576665  0.23604344  0.50000000  1.0
  B  B14  1  0.70522133  0.26264121  0.50000000  1.0
  B  B15  1  0.02073805  0.28683701  0.50000000  1.0
  B  B16  1  0.36882102  0.31869136  0.50000000  1.0
  B  B17  1  0.74860398  0.42397847  0.50000000  1.0
  B  B18  1  0.94603609  0.43656408  0.50000000  1.0
  B  B19  1  0.39548823  0.47326768  0.50000000  1.0
  B  B20  1  0.60246794  0.53042171  0.50000000  1.0
  B  B21  1  0.05411797  0.56544774  0.50000000  1.0
  B  B22  1  0.25263794  0.58062932  0.50000000  1.0
  B  B23  1  0.62930549  0.68448478  0.50000000  1.0
  B  B24  1  0.98031359  0.71352617  0.50000000  1.0
  B  B25  1  0.29383832  0.73664644  0.50000000  1.0
  B  B26  1  0.79528307  0.76418044  0.50000000  1.0
  B  B27  1  0.47878710  0.78720223  0.50000000  1.0
  B  B28  1  0.12911986  0.81619323  0.50000000  1.0
  B  B29  1  0.75265638  0.92002261  0.50000000  1.0
  B  B30  1  0.55439056  0.93343313  0.50000000  1.0
  B  B31  1  0.10079122  0.96981494  0.50000000  1.0
  Ru  Ru32  1  0.36002523  0.18097594  0.00000000  1.0
  Ru  Ru33  1  0.86160203  0.32212155  0.00000000  1.0
  Ru  Ru34  1  0.13781174  0.67718879  0.00000000  1.0
  Ru  Ru35  1  0.64234568  0.81935906  0.00000000  1.0