# generated using pymatgen
data_MgScB4Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97571082
_cell_length_b   8.38609415
_cell_length_c   10.03706496
_cell_angle_alpha   90.85645597
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScB4Ru5
_chemical_formula_sum   'Mg2 Sc2 B8 Ru10'
_cell_volume   250.44286932
_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  0.50000000  0.15133384  0.68006841  1.0
  Mg  Mg1  1  0.50000000  0.84866616  0.31993159  1.0
  Sc  Sc2  1  0.50000000  0.65429391  0.81669091  1.0
  Sc  Sc3  1  0.50000000  0.34570609  0.18330909  1.0
  B  B4  1  0.50000000  0.85530745  0.60084783  1.0
  B  B5  1  0.50000000  0.14469255  0.39915217  1.0
  B  B6  1  0.50000000  0.34957294  0.89638705  1.0
  B  B7  1  0.50000000  0.65042706  0.10361295  1.0
  B  B8  1  0.50000000  0.96267134  0.91032076  1.0
  B  B9  1  0.50000000  0.03732866  0.08967924  1.0
  B  B10  1  0.50000000  0.46110245  0.58898002  1.0
  B  B11  1  0.50000000  0.53889755  0.41101998  1.0
  Ru  Ru12  1  0.00000000  0.39610781  0.73745607  1.0
  Ru  Ru13  1  0.00000000  0.60389219  0.26254393  1.0
  Ru  Ru14  1  0.00000000  0.90303393  0.76128082  1.0
  Ru  Ru15  1  0.00000000  0.09696607  0.23871918  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru17  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru18  1  0.00000000  0.65607428  0.55035156  1.0
  Ru  Ru19  1  0.00000000  0.34392572  0.44964844  1.0
  Ru  Ru20  1  0.00000000  0.15808375  0.95556690  1.0
  Ru  Ru21  1  0.00000000  0.84191625  0.04443310  1.0