# generated using pymatgen
data_GdScB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57721143
_cell_length_b   8.98949168
_cell_length_c   11.37735350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdScB6Ru
_chemical_formula_sum   'Gd4 Sc4 B24 Ru4'
_cell_volume   365.86511082
_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
  Gd  Gd0  1  0.00000000  0.82077392  0.08550529  1.0
  Gd  Gd1  1  0.00000000  0.17922608  0.91449471  1.0
  Gd  Gd2  1  0.00000000  0.32077392  0.41449471  1.0
  Gd  Gd3  1  0.00000000  0.67922608  0.58550529  1.0
  Sc  Sc4  1  0.00000000  0.44524862  0.12635621  1.0
  Sc  Sc5  1  0.00000000  0.55475138  0.87364379  1.0
  Sc  Sc6  1  0.00000000  0.94524862  0.37364379  1.0
  Sc  Sc7  1  0.00000000  0.05475138  0.62635621  1.0
  B  B8  1  0.50000000  0.05596606  0.06849855  1.0
  B  B9  1  0.50000000  0.94403394  0.93150145  1.0
  B  B10  1  0.50000000  0.55596606  0.43150145  1.0
  B  B11  1  0.50000000  0.44403394  0.56849855  1.0
  B  B12  1  0.50000000  0.25306126  0.08230975  1.0
  B  B13  1  0.50000000  0.74693874  0.91769025  1.0
  B  B14  1  0.50000000  0.75306126  0.41769025  1.0
  B  B15  1  0.50000000  0.24693874  0.58230975  1.0
  B  B16  1  0.50000000  0.29349067  0.23476817  1.0
  B  B17  1  0.50000000  0.70650933  0.76523183  1.0
  B  B18  1  0.50000000  0.79349067  0.26523183  1.0
  B  B19  1  0.50000000  0.20650933  0.73476817  1.0
  B  B20  1  0.50000000  0.12928243  0.31717526  1.0
  B  B21  1  0.50000000  0.87071757  0.68282474  1.0
  B  B22  1  0.50000000  0.62928243  0.18282474  1.0
  B  B23  1  0.50000000  0.37071757  0.81717526  1.0
  B  B24  1  0.50000000  0.48323649  0.28511159  1.0
  B  B25  1  0.50000000  0.51676351  0.71488841  1.0
  B  B26  1  0.50000000  0.98323649  0.21488841  1.0
  B  B27  1  0.50000000  0.01676351  0.78511159  1.0
  B  B28  1  0.50000000  0.09958059  0.47330078  1.0
  B  B29  1  0.50000000  0.90041941  0.52669922  1.0
  B  B30  1  0.50000000  0.59958059  0.02669922  1.0
  B  B31  1  0.50000000  0.40041941  0.97330078  1.0
  Ru  Ru32  1  0.00000000  0.14072980  0.18193468  1.0
  Ru  Ru33  1  0.00000000  0.85927020  0.81806532  1.0
  Ru  Ru34  1  0.00000000  0.64072980  0.31806532  1.0
  Ru  Ru35  1  0.00000000  0.35927020  0.68193468  1.0