# generated using pymatgen
data_ThBIrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87072912
_cell_length_b   3.87072912
_cell_length_c   7.71355690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThBIrC
_chemical_formula_sum   'Th2 B2 Ir2 C2'
_cell_volume   115.56870501
_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  0.50000000  0.00000000  0.82849228  1.0
  Th  Th1  1  0.00000000  0.50000000  0.17150772  1.0
  B  B2  1  0.00000000  0.50000000  0.64379644  1.0
  B  B3  1  0.50000000  0.00000000  0.35620356  1.0
  Ir  Ir4  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.50000000  1.0
  C  C6  1  0.50000000  0.00000000  0.14974010  1.0
  C  C7  1  0.00000000  0.50000000  0.85025990  1.0