# generated using pymatgen
data_TbCBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79978928
_cell_length_b   3.99129284
_cell_length_c   10.32317664
_cell_angle_alpha   98.22622772
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.42512903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCBr
_chemical_formula_sum   'Tb2 C2 Br2'
_cell_volume   135.85237740
_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  0.59364984  0.18730069  0.85695698  1.0
  Tb  Tb1  1  0.40635016  0.81269931  0.14304302  1.0
  C  C2  1  0.91254238  0.82508576  0.96353459  1.0
  C  C3  1  0.08745762  0.17491424  0.03646541  1.0
  Br  Br4  1  0.79599829  0.59199458  0.32767486  1.0
  Br  Br5  1  0.20400171  0.40800542  0.67232514  1.0