# generated using pymatgen
data_Tb12B3CCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37560048
_cell_length_b   9.37560016
_cell_length_c   9.37560061
_cell_angle_alpha   109.33314183
_cell_angle_beta   109.33314378
_cell_angle_gamma   109.33313835
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb12B3CCl12
_chemical_formula_sum   'Tb12 B3 C1 Cl12'
_cell_volume   637.64050763
_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
  Tb  Tb0  1  0.46668481  0.48052595  0.23503367  1.0
  Tb  Tb1  1  0.75000000  0.23614398  0.26385602  1.0
  Tb  Tb2  1  0.75000000  0.01437293  0.48562707  1.0
  Tb  Tb3  1  0.23503367  0.46668481  0.48052595  1.0
  Tb  Tb4  1  0.26385602  0.75000000  0.23614398  1.0
  Tb  Tb5  1  0.03331519  0.26496633  0.01947405  1.0
  Tb  Tb6  1  0.01947405  0.03331519  0.26496633  1.0
  Tb  Tb7  1  0.48562707  0.75000000  0.01437293  1.0
  Tb  Tb8  1  0.48052595  0.23503367  0.46668481  1.0
  Tb  Tb9  1  0.01437293  0.48562707  0.75000000  1.0
  Tb  Tb10  1  0.26496633  0.01947405  0.03331519  1.0
  Tb  Tb11  1  0.23614398  0.26385602  0.75000000  1.0
  B  B12  1  0.49894777  0.00105223  0.25000000  1.0
  B  B13  1  0.00105223  0.25000000  0.49894777  1.0
  B  B14  1  0.25000000  0.49894777  0.00105223  1.0
  C  C15  1  0.25000000  0.25000000  0.25000000  1.0
  Cl  Cl16  1  0.25000000  0.75681001  0.74318999  1.0
  Cl  Cl17  1  0.51277695  0.50619554  0.75390851  1.0
  Cl  Cl18  1  0.98722305  0.74609149  0.99380446  1.0
  Cl  Cl19  1  0.74318999  0.25000000  0.75681001  1.0
  Cl  Cl20  1  0.99380446  0.98722305  0.74609149  1.0
  Cl  Cl21  1  0.25000000  0.99390471  0.50609529  1.0
  Cl  Cl22  1  0.75390851  0.51277695  0.50619554  1.0
  Cl  Cl23  1  0.50609529  0.25000000  0.99390471  1.0
  Cl  Cl24  1  0.75681001  0.74318999  0.25000000  1.0
  Cl  Cl25  1  0.74609149  0.99380446  0.98722305  1.0
  Cl  Cl26  1  0.99390471  0.50609529  0.25000000  1.0
  Cl  Cl27  1  0.50619554  0.75390851  0.51277695  1.0