# generated using pymatgen
data_ThCBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18913156
_cell_length_b   4.18913145
_cell_length_c   10.61220977
_cell_angle_alpha   80.00105412
_cell_angle_beta   80.00105203
_cell_angle_gamma   54.12789645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCBr
_chemical_formula_sum   'Th2 C2 Br2'
_cell_volume   148.01227929
_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  0.40326337  0.40326337  0.86343194  1.0
  Th  Th1  1  0.59673663  0.59673663  0.13656806  1.0
  C  C2  1  0.08743685  0.08743685  0.95930648  1.0
  C  C3  1  0.91256315  0.91256315  0.04069352  1.0
  Br  Br4  1  0.79466093  0.79466093  0.66781314  1.0
  Br  Br5  1  0.20533907  0.20533907  0.33218686  1.0