# generated using pymatgen
data_Tb7CuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65428661
_cell_length_b   9.65428707
_cell_length_c   9.65428749
_cell_angle_alpha   107.58665842
_cell_angle_beta   107.58666053
_cell_angle_gamma   107.58666295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7CuI12
_chemical_formula_sum   'Tb7 Cu1 I12'
_cell_volume   737.06573014
_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  0.89444056  0.96425983  0.69288724  1.0
  Tb  Tb1  1  0.69288724  0.89444056  0.96425983  1.0
  Tb  Tb2  1  0.96425983  0.69288724  0.89444056  1.0
  Tb  Tb3  1  0.10555944  0.03574017  0.30711276  1.0
  Tb  Tb4  1  0.30711276  0.10555944  0.03574017  1.0
  Tb  Tb5  1  0.03574017  0.30711276  0.10555944  1.0
  Tb  Tb6  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.92270260  0.31680748  0.77299188  1.0
  I  I9  1  0.77299188  0.92270260  0.31680748  1.0
  I  I10  1  0.31680748  0.77299188  0.92270260  1.0
  I  I11  1  0.07729740  0.68319252  0.22700812  1.0
  I  I12  1  0.22700812  0.07729740  0.68319252  1.0
  I  I13  1  0.68319252  0.22700812  0.07729740  1.0
  I  I14  1  0.52590444  0.84499749  0.60632813  1.0
  I  I15  1  0.60632813  0.52590444  0.84499749  1.0
  I  I16  1  0.84499749  0.60632813  0.52590444  1.0
  I  I17  1  0.47409556  0.15500251  0.39367187  1.0
  I  I18  1  0.39367187  0.47409556  0.15500251  1.0
  I  I19  1  0.15500251  0.39367187  0.47409556  1.0