# generated using pymatgen
data_Tb2CI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77978523
_cell_length_b   3.77978523
_cell_length_c   14.74791551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000746
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2CI
_chemical_formula_sum   'Tb4 C2 I2'
_cell_volume   182.47168663
_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  0.33333300  0.66666700  0.58559023  1.0
  Tb  Tb1  1  0.66666700  0.33333300  0.41440977  1.0
  Tb  Tb2  1  0.66666700  0.33333300  0.08557888  1.0
  Tb  Tb3  1  0.33333300  0.66666700  0.91442112  1.0
  C  C4  1  0.00000000  -0.00000000  -0.00000000  1.0
  C  C5  1  0.00000000  -0.00000000  0.50000000  1.0
  I  I6  1  0.33333300  0.66666700  0.24992440  1.0
  I  I7  1  0.66666700  0.33333300  0.75007560  1.0