# generated using pymatgen
data_Pr5Nd2ThSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52855926
_cell_length_b   4.18093277
_cell_length_c   11.28025594
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.84581271
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5Nd2ThSe12
_chemical_formula_sum   'Pr5 Nd2 Th1 Se12'
_cell_volume   543.70784757
_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  0.51633325  0.75000000  0.81155489  1.0
  Pr  Pr1  1  0.01008568  0.75000000  0.68444507  1.0
  Pr  Pr2  1  0.69226062  0.75000000  0.49228583  1.0
  Pr  Pr3  1  0.30798188  0.25000000  0.50980942  1.0
  Pr  Pr4  1  0.80460663  0.25000000  0.00199401  1.0
  Nd  Nd5  1  0.48775352  0.25000000  0.18854949  1.0
  Nd  Nd6  1  0.98791341  0.25000000  0.31533265  1.0
  Th  Th7  1  0.19244291  0.75000000  0.99754621  1.0
  Se  Se8  1  0.54745330  0.25000000  0.62533150  1.0
  Se  Se9  1  0.04785270  0.25000000  0.87637710  1.0
  Se  Se10  1  0.45095327  0.75000000  0.37235085  1.0
  Se  Se11  1  0.95969095  0.75000000  0.12687502  1.0
  Se  Se12  1  0.61721900  0.75000000  0.05596667  1.0
  Se  Se13  1  0.12316004  0.75000000  0.44312557  1.0
  Se  Se14  1  0.37898098  0.25000000  0.94559961  1.0
  Se  Se15  1  0.87736117  0.25000000  0.55435010  1.0
  Se  Se16  1  0.72975477  0.25000000  0.29495107  1.0
  Se  Se17  1  0.22292790  0.25000000  0.18996451  1.0
  Se  Se18  1  0.26959754  0.75000000  0.70829834  1.0
  Se  Se19  1  0.77567348  0.75000000  0.80529207  1.0