# generated using pymatgen
data_ThBC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78995310
_cell_length_b   3.78995310
_cell_length_c   25.37223003
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThBC
_chemical_formula_sum   'Th8 B8 C8'
_cell_volume   364.44022955
_cell_formula_units_Z   8
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  0.31118511  0.19499507  0.57076365  1.0
  Th  Th1  1  0.80500493  0.31118511  0.82076365  1.0
  Th  Th2  1  0.68881489  0.19499507  0.42923635  1.0
  Th  Th3  1  0.19499507  0.31118511  0.17923635  1.0
  Th  Th4  1  0.68881489  0.80500493  0.07076365  1.0
  Th  Th5  1  0.31118511  0.80500493  0.92923635  1.0
  Th  Th6  1  0.19499507  0.68881489  0.32076365  1.0
  Th  Th7  1  0.80500493  0.68881489  0.67923635  1.0
  B  B8  1  0.14936980  0.30183177  0.02307002  1.0
  B  B9  1  0.30183177  0.14936980  0.72692998  1.0
  B  B10  1  0.69816823  0.14936980  0.27307002  1.0
  B  B11  1  0.85063020  0.30183177  0.97692998  1.0
  B  B12  1  0.14936980  0.69816823  0.47692998  1.0
  B  B13  1  0.30183177  0.85063020  0.77307002  1.0
  B  B14  1  0.69816823  0.85063020  0.22692998  1.0
  B  B15  1  0.85063020  0.69816823  0.52307002  1.0
  C  C16  1  0.31250598  0.19548341  0.66828920  1.0
  C  C17  1  0.80451659  0.31250598  0.91828920  1.0
  C  C18  1  0.19548341  0.31250598  0.08171080  1.0
  C  C19  1  0.31250598  0.80451659  0.83171080  1.0
  C  C20  1  0.19548341  0.68749402  0.41828920  1.0
  C  C21  1  0.80451659  0.68749402  0.58171080  1.0
  C  C22  1  0.68749402  0.80451659  0.16828920  1.0
  C  C23  1  0.68749402  0.19548341  0.33171080  1.0