# generated using pymatgen
data_ErScB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54367121
_cell_length_b   8.93024710
_cell_length_c   11.29037991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErScB6Ru
_chemical_formula_sum   'Er4 Sc4 B24 Ru4'
_cell_volume   357.29377763
_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  0.50000000  0.31996249  0.41427366  1.0
  Er  Er1  1  0.50000000  0.68003751  0.58572634  1.0
  Er  Er2  1  0.50000000  0.18003751  0.91427366  1.0
  Er  Er3  1  0.50000000  0.81996249  0.08572634  1.0
  Sc  Sc4  1  0.50000000  0.44497870  0.12606876  1.0
  Sc  Sc5  1  0.50000000  0.55502130  0.87393124  1.0
  Sc  Sc6  1  0.50000000  0.05502130  0.62606876  1.0
  Sc  Sc7  1  0.50000000  0.94497870  0.37393124  1.0
  B  B8  1  0.00000000  0.10128925  0.47265010  1.0
  B  B9  1  0.00000000  0.89871075  0.52734990  1.0
  B  B10  1  0.00000000  0.39871075  0.97265010  1.0
  B  B11  1  0.00000000  0.60128925  0.02734990  1.0
  B  B12  1  0.00000000  0.12961630  0.31725281  1.0
  B  B13  1  0.00000000  0.87038370  0.68274719  1.0
  B  B14  1  0.00000000  0.37038370  0.81725281  1.0
  B  B15  1  0.00000000  0.62961630  0.18274719  1.0
  B  B16  1  0.00000000  0.05476917  0.06705345  1.0
  B  B17  1  0.00000000  0.94523083  0.93294655  1.0
  B  B18  1  0.00000000  0.44523083  0.56705345  1.0
  B  B19  1  0.00000000  0.55476917  0.43294655  1.0
  B  B20  1  0.00000000  0.48201107  0.28576217  1.0
  B  B21  1  0.00000000  0.51798893  0.71423783  1.0
  B  B22  1  0.00000000  0.01798893  0.78576217  1.0
  B  B23  1  0.00000000  0.98201107  0.21423783  1.0
  B  B24  1  0.00000000  0.25238005  0.08104098  1.0
  B  B25  1  0.00000000  0.74761995  0.91895902  1.0
  B  B26  1  0.00000000  0.24761995  0.58104098  1.0
  B  B27  1  0.00000000  0.75238005  0.41895902  1.0
  B  B28  1  0.00000000  0.29349090  0.23498661  1.0
  B  B29  1  0.00000000  0.70650910  0.76501339  1.0
  B  B30  1  0.00000000  0.20650910  0.73498661  1.0
  B  B31  1  0.00000000  0.79349090  0.26501339  1.0
  Ru  Ru32  1  0.50000000  0.13969035  0.18098430  1.0
  Ru  Ru33  1  0.50000000  0.86030965  0.81901570  1.0
  Ru  Ru34  1  0.50000000  0.36030965  0.68098430  1.0
  Ru  Ru35  1  0.50000000  0.63969035  0.31901570  1.0