# generated using pymatgen
data_MgZrB4Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98200875
_cell_length_b   8.48286304
_cell_length_c   10.03696377
_cell_angle_alpha   91.35683038
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrB4Ru5
_chemical_formula_sum   'Mg2 Zr2 B8 Ru10'
_cell_volume   253.82356409
_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  0.15495910  0.67730566  1.0
  Mg  Mg1  1  0.50000000  0.84504090  0.32269434  1.0
  Zr  Zr2  1  0.50000000  0.65796063  0.81646884  1.0
  Zr  Zr3  1  0.50000000  0.34203937  0.18353116  1.0
  B  B4  1  0.50000000  0.85788295  0.59935198  1.0
  B  B5  1  0.50000000  0.14211705  0.40064802  1.0
  B  B6  1  0.50000000  0.34822303  0.89490468  1.0
  B  B7  1  0.50000000  0.65177697  0.10509532  1.0
  B  B8  1  0.50000000  0.96618478  0.91117917  1.0
  B  B9  1  0.50000000  0.03381522  0.08882083  1.0
  B  B10  1  0.50000000  0.46126516  0.58761319  1.0
  B  B11  1  0.50000000  0.53873484  0.41238681  1.0
  Ru  Ru12  1  0.00000000  0.39922607  0.73650633  1.0
  Ru  Ru13  1  0.00000000  0.60077393  0.26349367  1.0
  Ru  Ru14  1  0.00000000  0.90718056  0.76221812  1.0
  Ru  Ru15  1  0.00000000  0.09281944  0.23778188  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  0.65778738  0.55180655  1.0
  Ru  Ru19  1  0.00000000  0.34221262  0.44819345  1.0
  Ru  Ru20  1  0.00000000  0.16273351  0.95542861  1.0
  Ru  Ru21  1  0.00000000  0.83726649  0.04457139  1.0