# generated using pymatgen
data_ThB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44289918
_cell_length_b   5.44289816
_cell_length_c   5.44289759
_cell_angle_alpha   75.98863007
_cell_angle_beta   75.98864056
_cell_angle_gamma   75.98862376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThB2C
_chemical_formula_sum   'Th3 B6 C3'
_cell_volume   148.88287261
_cell_formula_units_Z   3
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  0.68453695  0.68453695  0.68453695  1.0
  Th  Th1  1  0.31546305  0.31546305  0.31546305  1.0
  Th  Th2  1  0.00000000  -0.00000000  0.00000000  1.0
  B  B3  1  0.77643545  0.50000000  0.22356455  1.0
  B  B4  1  0.50000000  0.22356455  0.77643545  1.0
  B  B5  1  0.22356455  0.77643545  0.50000000  1.0
  B  B6  1  0.22356455  0.50000000  0.77643545  1.0
  B  B7  1  0.77643545  0.22356455  0.50000000  1.0
  B  B8  1  0.50000000  0.77643545  0.22356455  1.0
  C  C9  1  0.00000000  -0.00000000  0.50000000  1.0
  C  C10  1  0.50000000  -0.00000000  0.00000000  1.0
  C  C11  1  0.00000000  0.50000000  0.00000000  1.0