# generated using pymatgen
data_NaTb6IrI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73399481
_cell_length_b   9.73399340
_cell_length_c   9.73399304
_cell_angle_alpha   106.98382168
_cell_angle_beta   106.98382820
_cell_angle_gamma   106.98380253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTb6IrI12
_chemical_formula_sum   'Na1 Tb6 Ir1 I12'
_cell_volume   768.44082124
_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
  Na  Na0  1  0.50000000  0.50000000  0.50000000  1.0
  Tb  Tb1  1  0.89989324  0.69472830  0.97209882  1.0
  Tb  Tb2  1  0.97209882  0.89989324  0.69472830  1.0
  Tb  Tb3  1  0.69472830  0.97209882  0.89989324  1.0
  Tb  Tb4  1  0.10010676  0.30527170  0.02790118  1.0
  Tb  Tb5  1  0.02790118  0.10010676  0.30527170  1.0
  Tb  Tb6  1  0.30527170  0.02790118  0.10010676  1.0
  Ir  Ir7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.62641137  0.85690012  0.54585549  1.0
  I  I9  1  0.54585549  0.62641137  0.85690012  1.0
  I  I10  1  0.85690012  0.54585549  0.62641137  1.0
  I  I11  1  0.37358863  0.14309988  0.45414451  1.0
  I  I12  1  0.45414451  0.37358863  0.14309988  1.0
  I  I13  1  0.14309988  0.45414451  0.37358863  1.0
  I  I14  1  0.67966155  0.07554536  0.22698036  1.0
  I  I15  1  0.22698036  0.67966155  0.07554536  1.0
  I  I16  1  0.07554536  0.22698036  0.67966155  1.0
  I  I17  1  0.32033845  0.92445464  0.77301964  1.0
  I  I18  1  0.77301964  0.32033845  0.92445464  1.0
  I  I19  1  0.92445464  0.77301964  0.32033845  1.0