# generated using pymatgen
data_PrTh4Sn3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52527696
_cell_length_b   9.52499665
_cell_length_c   6.60021267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99902205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh4Sn3Cl
_chemical_formula_sum   'Pr2 Th8 Sn6 Cl2'
_cell_volume   518.60330994
_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  0.26935316  0.26923135  0.75000000  1.0
  Pr  Pr1  1  0.26935316  0.00012181  0.25000000  1.0
  Th  Th2  1  0.66999054  0.33499477  0.00000000  1.0
  Th  Th3  1  0.33483222  0.66741611  0.50000000  1.0
  Th  Th4  1  0.66999054  0.33499477  0.50000000  1.0
  Th  Th5  1  0.33483222  0.66741611  0.00000000  1.0
  Th  Th6  1  0.72739677  0.99987516  0.75000000  1.0
  Th  Th7  1  0.72739677  0.72752061  0.25000000  1.0
  Th  Th8  1  0.00001349  0.27308678  0.25000000  1.0
  Th  Th9  1  0.00001349  0.72692672  0.75000000  1.0
  Sn  Sn10  1  0.61694967  0.61642399  0.75000000  1.0
  Sn  Sn11  1  0.00119478  0.61776449  0.25000000  1.0
  Sn  Sn12  1  0.61694967  0.00052669  0.25000000  1.0
  Sn  Sn13  1  0.38385115  0.00033916  0.75000000  1.0
  Sn  Sn14  1  0.00119478  0.38343029  0.75000000  1.0
  Sn  Sn15  1  0.38385115  0.38351199  0.25000000  1.0
  Cl  Cl16  1  0.99641821  0.99820910  0.50000000  1.0
  Cl  Cl17  1  0.99641821  0.99820910  0.00000000  1.0