# generated using pymatgen
data_Tb7NiI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68017446
_cell_length_b   9.68017446
_cell_length_c   9.68017601
_cell_angle_alpha   107.42341284
_cell_angle_beta   107.42341286
_cell_angle_gamma   107.42341086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7NiI12
_chemical_formula_sum   'Tb7 Ni1 I12'
_cell_volume   746.53466930
_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  0.90044903  0.96939724  0.70250087  1.0
  Tb  Tb1  1  0.70250087  0.90044903  0.96939724  1.0
  Tb  Tb2  1  0.96939724  0.70250087  0.90044903  1.0
  Tb  Tb3  1  0.09955097  0.03060276  0.29749913  1.0
  Tb  Tb4  1  0.29749913  0.09955097  0.03060276  1.0
  Tb  Tb5  1  0.03060276  0.29749913  0.09955097  1.0
  Tb  Tb6  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  -0.00000000  0.00000000  -0.00000000  1.0
  I  I8  1  0.92469170  0.31935276  0.77299415  1.0
  I  I9  1  0.77299415  0.92469170  0.31935276  1.0
  I  I10  1  0.31935276  0.77299415  0.92469170  1.0
  I  I11  1  0.07530830  0.68064724  0.22700585  1.0
  I  I12  1  0.22700585  0.07530830  0.68064724  1.0
  I  I13  1  0.68064724  0.22700585  0.07530830  1.0
  I  I14  1  0.52932981  0.84414068  0.60918596  1.0
  I  I15  1  0.60918596  0.52932981  0.84414068  1.0
  I  I16  1  0.84414068  0.60918596  0.52932981  1.0
  I  I17  1  0.47067019  0.15585932  0.39081404  1.0
  I  I18  1  0.39081404  0.47067019  0.15585932  1.0
  I  I19  1  0.15585932  0.39081404  0.47067019  1.0