# generated using pymatgen
data_CeScB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61143004
_cell_length_b   9.02055215
_cell_length_c   11.41123246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeScB6Ru
_chemical_formula_sum   'Ce4 Sc4 B24 Ru4'
_cell_volume   371.74478162
_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
  Ce  Ce0  1  0.00000000  0.32159849  0.41428470  1.0
  Ce  Ce1  1  0.00000000  0.67840151  0.58571530  1.0
  Ce  Ce2  1  0.00000000  0.82159849  0.08571530  1.0
  Ce  Ce3  1  0.00000000  0.17840151  0.91428470  1.0
  Sc  Sc4  1  0.00000000  0.94529129  0.37490228  1.0
  Sc  Sc5  1  0.00000000  0.05470871  0.62509772  1.0
  Sc  Sc6  1  0.00000000  0.44529129  0.12509772  1.0
  Sc  Sc7  1  0.00000000  0.55470871  0.87490228  1.0
  B  B8  1  0.50000000  0.55615920  0.43151139  1.0
  B  B9  1  0.50000000  0.44384080  0.56848861  1.0
  B  B10  1  0.50000000  0.05615920  0.06848861  1.0
  B  B11  1  0.50000000  0.94384080  0.93151139  1.0
  B  B12  1  0.50000000  0.75345915  0.41758021  1.0
  B  B13  1  0.50000000  0.24654085  0.58241979  1.0
  B  B14  1  0.50000000  0.25345915  0.08241979  1.0
  B  B15  1  0.50000000  0.74654085  0.91758021  1.0
  B  B16  1  0.50000000  0.79460710  0.26555443  1.0
  B  B17  1  0.50000000  0.20539290  0.73444557  1.0
  B  B18  1  0.50000000  0.29460710  0.23444557  1.0
  B  B19  1  0.50000000  0.70539290  0.76555443  1.0
  B  B20  1  0.50000000  0.62984397  0.18278359  1.0
  B  B21  1  0.50000000  0.37015603  0.81721641  1.0
  B  B22  1  0.50000000  0.12984397  0.31721641  1.0
  B  B23  1  0.50000000  0.87015603  0.68278359  1.0
  B  B24  1  0.50000000  0.98359398  0.21570141  1.0
  B  B25  1  0.50000000  0.01640602  0.78429859  1.0
  B  B26  1  0.50000000  0.48359398  0.28429859  1.0
  B  B27  1  0.50000000  0.51640602  0.71570141  1.0
  B  B28  1  0.50000000  0.59979914  0.02682473  1.0
  B  B29  1  0.50000000  0.40020086  0.97317527  1.0
  B  B30  1  0.50000000  0.09979914  0.47317527  1.0
  B  B31  1  0.50000000  0.90020086  0.52682473  1.0
  Ru  Ru32  1  0.00000000  0.64127955  0.31794787  1.0
  Ru  Ru33  1  0.00000000  0.35872045  0.68205213  1.0
  Ru  Ru34  1  0.00000000  0.14127955  0.18205213  1.0
  Ru  Ru35  1  0.00000000  0.85872045  0.81794787  1.0