# generated using pymatgen
data_CaTaReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52481167
_cell_length_b   8.93238107
_cell_length_c   11.29473239
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaReB6
_chemical_formula_sum   'Ca4 Ta4 Re4 B24'
_cell_volume   355.61420887
_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
  Ca  Ca0  1  0.00000000  0.32390202  0.41518809  1.0
  Ca  Ca1  1  0.00000000  0.67609798  0.58481191  1.0
  Ca  Ca2  1  0.00000000  0.82390202  0.08481191  1.0
  Ca  Ca3  1  0.00000000  0.17609798  0.91518809  1.0
  Ta  Ta4  1  0.00000000  0.94756970  0.37307165  1.0
  Ta  Ta5  1  0.00000000  0.05243030  0.62692835  1.0
  Ta  Ta6  1  0.00000000  0.44756970  0.12692835  1.0
  Ta  Ta7  1  0.00000000  0.55243030  0.87307165  1.0
  Re  Re8  1  0.00000000  0.64579142  0.31495713  1.0
  Re  Re9  1  0.00000000  0.35420858  0.68504287  1.0
  Re  Re10  1  0.00000000  0.14579142  0.18504287  1.0
  Re  Re11  1  0.00000000  0.85420858  0.81495713  1.0
  B  B12  1  0.50000000  0.55535960  0.43216335  1.0
  B  B13  1  0.50000000  0.44464040  0.56783665  1.0
  B  B14  1  0.50000000  0.05535960  0.06783665  1.0
  B  B15  1  0.50000000  0.94464040  0.93216335  1.0
  B  B16  1  0.50000000  0.75522675  0.41680659  1.0
  B  B17  1  0.50000000  0.24477325  0.58319341  1.0
  B  B18  1  0.50000000  0.25522675  0.08319341  1.0
  B  B19  1  0.50000000  0.74477325  0.91680659  1.0
  B  B20  1  0.50000000  0.79937821  0.26276328  1.0
  B  B21  1  0.50000000  0.20062179  0.73723672  1.0
  B  B22  1  0.50000000  0.29937821  0.23723672  1.0
  B  B23  1  0.50000000  0.70062179  0.76276328  1.0
  B  B24  1  0.50000000  0.63207098  0.18018001  1.0
  B  B25  1  0.50000000  0.36792902  0.81981999  1.0
  B  B26  1  0.50000000  0.13207098  0.31981999  1.0
  B  B27  1  0.50000000  0.86792902  0.68018001  1.0
  B  B28  1  0.50000000  0.98373352  0.21435236  1.0
  B  B29  1  0.50000000  0.01626648  0.78564764  1.0
  B  B30  1  0.50000000  0.48373352  0.28564764  1.0
  B  B31  1  0.50000000  0.51626648  0.71435236  1.0
  B  B32  1  0.50000000  0.59891927  0.02554425  1.0
  B  B33  1  0.50000000  0.40108073  0.97445575  1.0
  B  B34  1  0.50000000  0.09891927  0.47445575  1.0
  B  B35  1  0.50000000  0.90108073  0.52554425  1.0