# generated using pymatgen
data_ThScTcB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69861487
_cell_length_b   9.08371182
_cell_length_c   11.51816648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScTcB6
_chemical_formula_sum   'Th4 Sc4 Tc4 B24'
_cell_volume   386.97758556
_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  0.82099740  0.08532775  1.0
  Th  Th1  1  0.00000000  0.17900260  0.91467225  1.0
  Th  Th2  1  0.00000000  0.32099740  0.41467225  1.0
  Th  Th3  1  0.00000000  0.67900260  0.58532775  1.0
  Sc  Sc4  1  0.00000000  0.44584930  0.12669361  1.0
  Sc  Sc5  1  0.00000000  0.55415070  0.87330639  1.0
  Sc  Sc6  1  0.00000000  0.94584930  0.37330639  1.0
  Sc  Sc7  1  0.00000000  0.05415070  0.62669361  1.0
  Tc  Tc8  1  0.00000000  0.14154216  0.18268356  1.0
  Tc  Tc9  1  0.00000000  0.85845784  0.81731644  1.0
  Tc  Tc10  1  0.00000000  0.64154216  0.31731644  1.0
  Tc  Tc11  1  0.00000000  0.35845784  0.68268356  1.0
  B  B12  1  0.50000000  0.05782066  0.07155425  1.0
  B  B13  1  0.50000000  0.94217934  0.92844575  1.0
  B  B14  1  0.50000000  0.55782066  0.42844575  1.0
  B  B15  1  0.50000000  0.44217934  0.57155425  1.0
  B  B16  1  0.50000000  0.25423672  0.08437524  1.0
  B  B17  1  0.50000000  0.74576328  0.91562476  1.0
  B  B18  1  0.50000000  0.75423672  0.41562476  1.0
  B  B19  1  0.50000000  0.24576328  0.58437524  1.0
  B  B20  1  0.50000000  0.29340179  0.23416276  1.0
  B  B21  1  0.50000000  0.70659821  0.76583724  1.0
  B  B22  1  0.50000000  0.79340179  0.26583724  1.0
  B  B23  1  0.50000000  0.20659821  0.73416276  1.0
  B  B24  1  0.50000000  0.12839747  0.31624453  1.0
  B  B25  1  0.50000000  0.87160253  0.68375547  1.0
  B  B26  1  0.50000000  0.62839747  0.18375547  1.0
  B  B27  1  0.50000000  0.37160253  0.81624453  1.0
  B  B28  1  0.50000000  0.48432553  0.28410445  1.0
  B  B29  1  0.50000000  0.51567447  0.71589555  1.0
  B  B30  1  0.50000000  0.98432553  0.21589555  1.0
  B  B31  1  0.50000000  0.01567447  0.78410445  1.0
  B  B32  1  0.50000000  0.09774712  0.47384223  1.0
  B  B33  1  0.50000000  0.90225288  0.52615777  1.0
  B  B34  1  0.50000000  0.59774712  0.02615777  1.0
  B  B35  1  0.50000000  0.40225288  0.97384223  1.0