# generated using pymatgen
data_ErZrB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54337567
_cell_length_b   9.00985561
_cell_length_c   11.34074443
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErZrB6Ru
_chemical_formula_sum   'Er4 Zr4 B24 Ru4'
_cell_volume   362.05670426
_cell_formula_units_Z   4
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
  Er  Er0  1  0.00000000  0.32214555  0.41358821  1.0
  Er  Er1  1  0.00000000  0.67785445  0.58641179  1.0
  Er  Er2  1  0.00000000  0.82214555  0.08641179  1.0
  Er  Er3  1  0.00000000  0.17785445  0.91358821  1.0
  Zr  Zr4  1  0.00000000  0.94473592  0.37418548  1.0
  Zr  Zr5  1  0.00000000  0.05526408  0.62581452  1.0
  Zr  Zr6  1  0.00000000  0.44473592  0.12581452  1.0
  Zr  Zr7  1  0.00000000  0.55526408  0.87418548  1.0
  B  B8  1  0.50000000  0.55422218  0.43373982  1.0
  B  B9  1  0.50000000  0.44577782  0.56626018  1.0
  B  B10  1  0.50000000  0.05422218  0.06626018  1.0
  B  B11  1  0.50000000  0.94577782  0.93373982  1.0
  B  B12  1  0.50000000  0.75144851  0.41898658  1.0
  B  B13  1  0.50000000  0.24855149  0.58101342  1.0
  B  B14  1  0.50000000  0.25144851  0.08101342  1.0
  B  B15  1  0.50000000  0.74855149  0.91898658  1.0
  B  B16  1  0.50000000  0.79502154  0.26339816  1.0
  B  B17  1  0.50000000  0.20497846  0.73660184  1.0
  B  B18  1  0.50000000  0.29502154  0.23660184  1.0
  B  B19  1  0.50000000  0.70497846  0.76339816  1.0
  B  B20  1  0.50000000  0.63091915  0.18310936  1.0
  B  B21  1  0.50000000  0.36908085  0.81689064  1.0
  B  B22  1  0.50000000  0.13091915  0.31689064  1.0
  B  B23  1  0.50000000  0.86908085  0.68310936  1.0
  B  B24  1  0.50000000  0.98208084  0.21227583  1.0
  B  B25  1  0.50000000  0.01791916  0.78772417  1.0
  B  B26  1  0.50000000  0.48208084  0.28772417  1.0
  B  B27  1  0.50000000  0.51791916  0.71227583  1.0
  B  B28  1  0.50000000  0.60352219  0.02788556  1.0
  B  B29  1  0.50000000  0.39647781  0.97211444  1.0
  B  B30  1  0.50000000  0.10352219  0.47211444  1.0
  B  B31  1  0.50000000  0.89647781  0.52788556  1.0
  Ru  Ru32  1  0.00000000  0.64198281  0.31893683  1.0
  Ru  Ru33  1  0.00000000  0.35801719  0.68106317  1.0
  Ru  Ru34  1  0.00000000  0.14198281  0.18106317  1.0
  Ru  Ru35  1  0.00000000  0.85801719  0.81893683  1.0