# generated using pymatgen
data_Tb4CBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88788372
_cell_length_b   12.96272840
_cell_length_c   13.39976687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4CBr6
_chemical_formula_sum   'Tb8 C2 Br12'
_cell_volume   675.31583266
_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
  Tb  Tb0  1  0.00000000  0.09889234  0.07903270  1.0
  Tb  Tb1  1  0.00000000  0.90110766  0.92096730  1.0
  Tb  Tb2  1  0.00000000  0.59889234  0.42096730  1.0
  Tb  Tb3  1  0.00000000  0.40110766  0.57903270  1.0
  Tb  Tb4  1  0.50000000  0.12129231  0.85787460  1.0
  Tb  Tb5  1  0.50000000  0.87870769  0.14212540  1.0
  Tb  Tb6  1  0.50000000  0.62129231  0.64212540  1.0
  Tb  Tb7  1  0.50000000  0.37870769  0.35787460  1.0
  C  C8  1  0.50000000  0.00000000  0.00000000  1.0
  C  C9  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br10  1  0.50000000  0.26822321  0.68356922  1.0
  Br  Br11  1  0.50000000  0.73177679  0.31643078  1.0
  Br  Br12  1  0.50000000  0.76822321  0.81643078  1.0
  Br  Br13  1  0.50000000  0.23177679  0.18356922  1.0
  Br  Br14  1  0.00000000  0.26351873  0.93398603  1.0
  Br  Br15  1  0.00000000  0.73648127  0.06601397  1.0
  Br  Br16  1  0.00000000  0.48283583  0.23704719  1.0
  Br  Br17  1  0.00000000  0.51716417  0.76295281  1.0
  Br  Br18  1  0.00000000  0.98283583  0.26295281  1.0
  Br  Br19  1  0.00000000  0.01716417  0.73704719  1.0
  Br  Br20  1  0.00000000  0.23648127  0.43398603  1.0
  Br  Br21  1  0.00000000  0.76351873  0.56601397  1.0