# generated using pymatgen
data_Tb2CBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69483392
_cell_length_b   3.69483392
_cell_length_c   14.12800272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2CBr
_chemical_formula_sum   'Tb4 C2 Br2'
_cell_volume   167.03258862
_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  0.66666700  0.33333300  0.40945890  1.0
  Tb  Tb1  1  0.33333300  0.66666700  0.59047158  1.0
  Tb  Tb2  1  0.33333300  0.66666700  0.90952607  1.0
  Tb  Tb3  1  0.66666700  0.33333300  0.09054307  1.0
  C  C4  1  0.00000000  0.00000000  0.00003484  1.0
  C  C5  1  0.00000000  0.00000000  0.49996491  1.0
  Br  Br6  1  0.66666700  0.33333300  0.74995557  1.0
  Br  Br7  1  0.33333300  0.66666700  0.25004406  1.0