# generated using pymatgen
data_Tb7FeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71432853
_cell_length_b   9.71432853
_cell_length_c   9.71432847
_cell_angle_alpha   106.89174563
_cell_angle_beta   106.89174563
_cell_angle_gamma   106.89173774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7FeI12
_chemical_formula_sum   'Tb7 Fe1 I12'
_cell_volume   765.69948873
_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  0.50000000  0.50000000  0.50000000  1.0
  Tb  Tb1  1  0.09288200  0.29056700  0.02370200  1.0
  Tb  Tb2  1  0.02370200  0.09288200  0.29056700  1.0
  Tb  Tb3  1  0.29056700  0.02370200  0.09288200  1.0
  Tb  Tb4  1  0.90711800  0.70943300  0.97629800  1.0
  Tb  Tb5  1  0.97629800  0.90711800  0.70943300  1.0
  Tb  Tb6  1  0.70943300  0.97629800  0.90711800  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.46659900  0.38869400  0.15987500  1.0
  I  I9  1  0.15987500  0.46659900  0.38869400  1.0
  I  I10  1  0.38869400  0.15987500  0.46659900  1.0
  I  I11  1  0.53340100  0.61130600  0.84012500  1.0
  I  I12  1  0.84012500  0.53340100  0.61130600  1.0
  I  I13  1  0.61130600  0.84012500  0.53340100  1.0
  I  I14  1  0.77332500  0.32007300  0.92725700  1.0
  I  I15  1  0.92725700  0.77332500  0.32007300  1.0
  I  I16  1  0.32007300  0.92725700  0.77332500  1.0
  I  I17  1  0.22667500  0.67992700  0.07274300  1.0
  I  I18  1  0.07274300  0.22667500  0.67992700  1.0
  I  I19  1  0.67992700  0.07274300  0.22667500  1.0