# generated using pymatgen
data_ThScB6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69201858
_cell_length_b   9.16887616
_cell_length_c   11.64855195
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScB6W
_chemical_formula_sum   'Th4 Sc4 B24 W4'
_cell_volume   394.32283296
_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  0.82031570  0.08507363  1.0
  Th  Th1  1  0.00000000  0.17968430  0.91492637  1.0
  Th  Th2  1  0.00000000  0.32031570  0.41492637  1.0
  Th  Th3  1  0.00000000  0.67968430  0.58507363  1.0
  Sc  Sc4  1  0.00000000  0.44488789  0.12832874  1.0
  Sc  Sc5  1  0.00000000  0.55511211  0.87167126  1.0
  Sc  Sc6  1  0.00000000  0.94488789  0.37167126  1.0
  Sc  Sc7  1  0.00000000  0.05511211  0.62832874  1.0
  B  B8  1  0.50000000  0.05590741  0.07014866  1.0
  B  B9  1  0.50000000  0.94409259  0.92985134  1.0
  B  B10  1  0.50000000  0.55590741  0.42985134  1.0
  B  B11  1  0.50000000  0.44409259  0.57014866  1.0
  B  B12  1  0.50000000  0.25591982  0.08410054  1.0
  B  B13  1  0.50000000  0.74408018  0.91589946  1.0
  B  B14  1  0.50000000  0.75591982  0.41589946  1.0
  B  B15  1  0.50000000  0.24408018  0.58410054  1.0
  B  B16  1  0.50000000  0.29526121  0.23455574  1.0
  B  B17  1  0.50000000  0.70473879  0.76544426  1.0
  B  B18  1  0.50000000  0.79526121  0.26544426  1.0
  B  B19  1  0.50000000  0.20473879  0.73455574  1.0
  B  B20  1  0.50000000  0.12740429  0.31680860  1.0
  B  B21  1  0.50000000  0.87259571  0.68319140  1.0
  B  B22  1  0.50000000  0.62740429  0.18319140  1.0
  B  B23  1  0.50000000  0.37259571  0.81680860  1.0
  B  B24  1  0.50000000  0.48177932  0.28387551  1.0
  B  B25  1  0.50000000  0.51822068  0.71612449  1.0
  B  B26  1  0.50000000  0.98177932  0.21612449  1.0
  B  B27  1  0.50000000  0.01822068  0.78387551  1.0
  B  B28  1  0.50000000  0.09458183  0.47449617  1.0
  B  B29  1  0.50000000  0.90541817  0.52550383  1.0
  B  B30  1  0.50000000  0.59458183  0.02550383  1.0
  B  B31  1  0.50000000  0.40541817  0.97449617  1.0
  W  W32  1  0.00000000  0.14118417  0.18245461  1.0
  W  W33  1  0.00000000  0.85881583  0.81754539  1.0
  W  W34  1  0.00000000  0.64118417  0.31754539  1.0
  W  W35  1  0.00000000  0.35881583  0.68245461  1.0