# generated using pymatgen
data_Pr7ThS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06050295
_cell_length_b   10.80300612
_cell_length_c   11.06860932
_cell_angle_alpha   89.81798817
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7ThS12
_chemical_formula_sum   'Pr7 Th1 S12'
_cell_volume   485.52916280
_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  0.25000000  0.00736000  0.31110888  1.0
  Pr  Pr1  1  0.75000000  0.99682262  0.69198691  1.0
  Pr  Pr2  1  0.75000000  0.50252738  0.19185253  1.0
  Pr  Pr3  1  0.25000000  0.49265229  0.80644764  1.0
  Pr  Pr4  1  0.25000000  0.68691914  0.49040786  1.0
  Pr  Pr5  1  0.75000000  0.31380174  0.50977300  1.0
  Pr  Pr6  1  0.75000000  0.18801087  0.00979239  1.0
  Th  Th7  1  0.25000000  0.81252539  0.99062083  1.0
  S  S8  1  0.25000000  0.05137493  0.88206581  1.0
  S  S9  1  0.75000000  0.94226214  0.11916285  1.0
  S  S10  1  0.75000000  0.55492044  0.62144856  1.0
  S  S11  1  0.25000000  0.44754688  0.37802656  1.0
  S  S12  1  0.25000000  0.12726606  0.54724931  1.0
  S  S13  1  0.75000000  0.87248869  0.45372578  1.0
  S  S14  1  0.75000000  0.63131427  0.95248602  1.0
  S  S15  1  0.25000000  0.37495580  0.04520451  1.0
  S  S16  1  0.25000000  0.70188887  0.22316412  1.0
  S  S17  1  0.75000000  0.29711698  0.77111861  1.0
  S  S18  1  0.75000000  0.20039337  0.27008761  1.0
  S  S19  1  0.25000000  0.79785113  0.73427022  1.0