# generated using pymatgen
data_ThB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78899246
_cell_length_b   6.10007671
_cell_length_c   6.10007634
_cell_angle_alpha   104.19542794
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThB4Mo
_chemical_formula_sum   'Th2 B8 Mo2'
_cell_volume   136.68674665
_cell_formula_units_Z   2
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  0.69841542  0.30158458  1.0
  Th  Th1  1  0.00000000  0.30158458  0.69841542  1.0
  B  B2  1  0.50000000  0.91023141  0.08976859  1.0
  B  B3  1  0.50000000  0.08976859  0.91023141  1.0
  B  B4  1  0.50000000  0.62917954  0.62917954  1.0
  B  B5  1  0.50000000  0.37082046  0.37082046  1.0
  B  B6  1  0.50000000  0.37657986  0.06502493  1.0
  B  B7  1  0.50000000  0.62342014  0.93497507  1.0
  B  B8  1  0.50000000  0.06502493  0.37657986  1.0
  B  B9  1  0.50000000  0.93497507  0.62342014  1.0
  Mo  Mo10  1  0.00000000  0.82908661  0.82908661  1.0
  Mo  Mo11  1  0.00000000  0.17091339  0.17091339  1.0