# generated using pymatgen
data_Tb3Pr4ThS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02332021
_cell_length_b   10.56130946
_cell_length_c   10.90025192
_cell_angle_alpha   89.77753830
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Pr4ThS12
_chemical_formula_sum   'Tb3 Pr4 Th1 S12'
_cell_volume   463.16488808
_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
  Tb  Tb0  1  0.25000000  0.68706411  0.49173948  1.0
  Tb  Tb1  1  0.75000000  0.31426331  0.50872968  1.0
  Tb  Tb2  1  0.75000000  0.18827308  0.00866224  1.0
  Pr  Pr3  1  0.25000000  0.00745202  0.30971337  1.0
  Pr  Pr4  1  0.75000000  0.00054844  0.69333512  1.0
  Pr  Pr5  1  0.75000000  0.49749076  0.19573450  1.0
  Pr  Pr6  1  0.25000000  0.49184968  0.80300832  1.0
  Th  Th7  1  0.25000000  0.81203822  0.99036358  1.0
  S  S8  1  0.25000000  0.05702684  0.88610504  1.0
  S  S9  1  0.75000000  0.94775205  0.11931892  1.0
  S  S10  1  0.75000000  0.55462680  0.61395979  1.0
  S  S11  1  0.25000000  0.44716915  0.38684117  1.0
  S  S12  1  0.25000000  0.13518836  0.54420247  1.0
  S  S13  1  0.75000000  0.86673126  0.45602275  1.0
  S  S14  1  0.75000000  0.62692639  0.95311383  1.0
  S  S15  1  0.25000000  0.36649808  0.04313826  1.0
  S  S16  1  0.25000000  0.70219497  0.22913666  1.0
  S  S17  1  0.75000000  0.29282812  0.76807870  1.0
  S  S18  1  0.75000000  0.20716797  0.26835152  1.0
  S  S19  1  0.25000000  0.79690838  0.73044460  1.0