# generated using pymatgen
data_ThScReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70051236
_cell_length_b   9.09376749
_cell_length_c   11.53791443
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScReB6
_chemical_formula_sum   'Th4 Sc4 Re4 B24'
_cell_volume   388.26927033
_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
  Th  Th0  1  0.00000000  0.32057554  0.41460978  1.0
  Th  Th1  1  0.00000000  0.67942446  0.58539022  1.0
  Th  Th2  1  0.00000000  0.82057554  0.08539022  1.0
  Th  Th3  1  0.00000000  0.17942446  0.91460978  1.0
  Sc  Sc4  1  0.00000000  0.94598887  0.37375685  1.0
  Sc  Sc5  1  0.00000000  0.05401113  0.62624315  1.0
  Sc  Sc6  1  0.00000000  0.44598887  0.12624315  1.0
  Sc  Sc7  1  0.00000000  0.55401113  0.87375685  1.0
  Re  Re8  1  0.00000000  0.64126929  0.31744447  1.0
  Re  Re9  1  0.00000000  0.35873071  0.68255553  1.0
  Re  Re10  1  0.00000000  0.14126929  0.18255553  1.0
  Re  Re11  1  0.00000000  0.85873071  0.81744447  1.0
  B  B12  1  0.50000000  0.55761832  0.42864230  1.0
  B  B13  1  0.50000000  0.44238168  0.57135770  1.0
  B  B14  1  0.50000000  0.05761832  0.07135770  1.0
  B  B15  1  0.50000000  0.94238168  0.92864230  1.0
  B  B16  1  0.50000000  0.75409271  0.41582728  1.0
  B  B17  1  0.50000000  0.24590729  0.58417272  1.0
  B  B18  1  0.50000000  0.25409271  0.08417272  1.0
  B  B19  1  0.50000000  0.74590729  0.91582728  1.0
  B  B20  1  0.50000000  0.79338239  0.26594496  1.0
  B  B21  1  0.50000000  0.20661761  0.73405504  1.0
  B  B22  1  0.50000000  0.29338239  0.23405504  1.0
  B  B23  1  0.50000000  0.70661761  0.76594496  1.0
  B  B24  1  0.50000000  0.62837886  0.18397681  1.0
  B  B25  1  0.50000000  0.37162114  0.81602319  1.0
  B  B26  1  0.50000000  0.12837886  0.31602319  1.0
  B  B27  1  0.50000000  0.87162114  0.68397681  1.0
  B  B28  1  0.50000000  0.98401993  0.21589182  1.0
  B  B29  1  0.50000000  0.01598007  0.78410818  1.0
  B  B30  1  0.50000000  0.48401993  0.28410818  1.0
  B  B31  1  0.50000000  0.51598007  0.71589182  1.0
  B  B32  1  0.50000000  0.59780538  0.02626448  1.0
  B  B33  1  0.50000000  0.40219462  0.97373552  1.0
  B  B34  1  0.50000000  0.09780538  0.47373552  1.0
  B  B35  1  0.50000000  0.90219462  0.52626448  1.0