# generated using pymatgen
data_Pr6NdGaI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02689682
_cell_length_b   10.02689598
_cell_length_c   10.02689708
_cell_angle_alpha   107.82358223
_cell_angle_beta   107.82357492
_cell_angle_gamma   107.82358305
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6NdGaI12
_chemical_formula_sum   'Pr6 Nd1 Ga1 I12'
_cell_volume   819.95511540
_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
  Pr  Pr0  1  0.96272726  0.89163951  0.68087959  1.0
  Pr  Pr1  1  0.03727274  0.10836049  0.31912041  1.0
  Pr  Pr2  1  0.10836049  0.31912041  0.03727274  1.0
  Pr  Pr3  1  0.31912041  0.03727274  0.10836049  1.0
  Pr  Pr4  1  0.89163951  0.68087959  0.96272726  1.0
  Pr  Pr5  1  0.68087959  0.96272726  0.89163951  1.0
  Nd  Nd6  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.52400134  0.60478735  0.84248858  1.0
  I  I9  1  0.47599866  0.39521265  0.15751142  1.0
  I  I10  1  0.31150375  0.92111884  0.76852972  1.0
  I  I11  1  0.39521265  0.15751142  0.47599866  1.0
  I  I12  1  0.92111884  0.76852972  0.31150375  1.0
  I  I13  1  0.68849625  0.07888116  0.23147028  1.0
  I  I14  1  0.07888116  0.23147028  0.68849625  1.0
  I  I15  1  0.76852972  0.31150375  0.92111884  1.0
  I  I16  1  0.23147028  0.68849625  0.07888116  1.0
  I  I17  1  0.84248858  0.52400134  0.60478735  1.0
  I  I18  1  0.15751142  0.47599866  0.39521265  1.0
  I  I19  1  0.60478735  0.84248858  0.52400134  1.0