# generated using pymatgen
data_NaNd6ZnI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94155958
_cell_length_b   9.94155949
_cell_length_c   9.94155971
_cell_angle_alpha   106.93936073
_cell_angle_beta   106.93937290
_cell_angle_gamma   106.93936563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNd6ZnI12
_chemical_formula_sum   'Na1 Nd6 Zn1 I12'
_cell_volume   819.64351888
_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
  Nd  Nd1  1  0.31978927  0.10681184  0.03173936  1.0
  Nd  Nd2  1  0.03173936  0.31978927  0.10681184  1.0
  Nd  Nd3  1  0.10681184  0.03173936  0.31978927  1.0
  Nd  Nd4  1  0.89318716  0.96826064  0.68021073  1.0
  Nd  Nd5  1  0.96826064  0.68021073  0.89318716  1.0
  Nd  Nd6  1  0.68021073  0.89318816  0.96825964  1.0
  Zn  Zn7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.68384711  0.23093381  0.07766172  1.0
  I  I9  1  0.37809137  0.45941461  0.14848083  1.0
  I  I10  1  0.07766172  0.68384711  0.23093381  1.0
  I  I11  1  0.76906519  0.92233828  0.31615289  1.0
  I  I12  1  0.45941461  0.14848183  0.37809037  1.0
  I  I13  1  0.14848183  0.37809037  0.45941461  1.0
  I  I14  1  0.85151917  0.62190963  0.54058639  1.0
  I  I15  1  0.54058539  0.85151917  0.62190963  1.0
  I  I16  1  0.23093381  0.07766172  0.68384711  1.0
  I  I17  1  0.92233828  0.31615289  0.76906519  1.0
  I  I18  1  0.62190963  0.54058639  0.85151917  1.0
  I  I19  1  0.31615289  0.76906519  0.92233828  1.0