# generated using pymatgen
data_PrTh4Sn3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50935453
_cell_length_b   9.53036491
_cell_length_c   6.72282820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92708966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh4Sn3Se
_chemical_formula_sum   'Pr2 Th8 Sn6 Se2'
_cell_volume   528.03391625
_cell_formula_units_Z   2
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  0.00042311  0.73783676  0.75000000  1.0
  Pr  Pr1  1  0.26258635  0.26216324  0.75000000  1.0
  Th  Th2  1  0.33555537  0.66822567  0.49905522  1.0
  Th  Th3  1  0.66733070  0.33177433  0.49905522  1.0
  Th  Th4  1  0.73736399  0.73725235  0.25000000  1.0
  Th  Th5  1  0.73663105  0.00000000  0.75000000  1.0
  Th  Th6  1  0.00011164  0.26274765  0.25000000  1.0
  Th  Th7  1  0.26047409  1.00000000  0.25000000  1.0
  Th  Th8  1  0.33555537  0.66822567  0.00094478  1.0
  Th  Th9  1  0.66733070  0.33177433  0.00094478  1.0
  Sn  Sn10  1  0.61095340  0.60990845  0.75000000  1.0
  Sn  Sn11  1  0.00104495  0.39009155  0.75000000  1.0
  Sn  Sn12  1  0.38996509  1.00000000  0.75000000  1.0
  Sn  Sn13  1  0.60993118  0.00000000  0.25000000  1.0
  Sn  Sn14  1  0.38979348  0.38956086  0.25000000  1.0
  Sn  Sn15  1  0.00023362  0.61043914  0.25000000  1.0
  Se  Se16  1  0.99735896  1.00000000  0.00167393  1.0
  Se  Se17  1  0.99735896  1.00000000  0.49832607  1.0