# generated using pymatgen
data_SrTh3Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41851288
_cell_length_b   9.41851270
_cell_length_c   9.41851320
_cell_angle_alpha   33.55222353
_cell_angle_beta   33.55222715
_cell_angle_gamma   33.55222507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTh3Ir8
_chemical_formula_sum   'Sr1 Th3 Ir8'
_cell_volume   227.33184954
_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
  Sr  Sr0  1  0.12627857  0.12627857  0.12627857  1.0
  Th  Th1  1  0.62309618  0.62309618  0.62309618  1.0
  Th  Th2  1  0.00309938  0.00309938  0.00309938  1.0
  Th  Th3  1  0.49680887  0.49680887  0.49680887  1.0
  Ir  Ir4  1  0.56333494  0.56333494  0.05698831  1.0
  Ir  Ir5  1  0.06238634  0.06238634  0.56728600  1.0
  Ir  Ir6  1  0.56333494  0.05698831  0.56333494  1.0
  Ir  Ir7  1  0.06238634  0.56728600  0.06238634  1.0
  Ir  Ir8  1  0.81243355  0.81243355  0.81243355  1.0
  Ir  Ir9  1  0.31256858  0.31256858  0.31256858  1.0
  Ir  Ir10  1  0.05698831  0.56333494  0.56333494  1.0
  Ir  Ir11  1  0.56728600  0.06238634  0.06238634  1.0