# generated using pymatgen
data_Th3B2(CN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60043350
_cell_length_b   6.60043372
_cell_length_c   6.60043250
_cell_angle_alpha   148.27197814
_cell_angle_beta   121.93232797
_cell_angle_gamma   67.69905416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3B2(CN)2
_chemical_formula_sum   'Th3 B2 C2 N2'
_cell_volume   126.72999087
_cell_formula_units_Z   1
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  0.69913410  0.19913410  0.50000000  1.0
  Th  Th1  1  0.30223462  0.80223462  0.50000000  1.0
  Th  Th2  1  0.00245078  0.00245078  0.00000000  1.0
  B  B3  1  0.35722587  0.49802921  0.85919666  1.0
  B  B4  1  0.63883256  0.49802921  0.14080334  1.0
  C  C5  1  0.36052337  0.62164196  0.73888241  1.0
  C  C6  1  0.88275755  0.62164196  0.26111759  1.0
  N  N7  1  0.11983560  0.37841957  0.74141402  1.0
  N  N8  1  0.63700555  0.37841957  0.25858598  1.0