# generated using pymatgen
data_LiTh3Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23577516
_cell_length_b   9.23577426
_cell_length_c   9.23577400
_cell_angle_alpha   33.76498943
_cell_angle_beta   33.76498442
_cell_angle_gamma   33.76498543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTh3Ir8
_chemical_formula_sum   'Li1 Th3 Ir8'
_cell_volume   216.83505036
_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
  Li  Li0  1  0.33596274  0.33596274  0.33596274  1.0
  Th  Th1  1  0.85924563  0.85924563  0.85924563  1.0
  Th  Th2  1  0.13674879  0.13674879  0.13674879  1.0
  Th  Th3  1  0.99969542  0.99969542  0.99969542  1.0
  Ir  Ir4  1  0.41415563  0.92598300  0.41415563  1.0
  Ir  Ir5  1  0.41415563  0.41415563  0.92598300  1.0
  Ir  Ir6  1  0.92598300  0.41415563  0.41415563  1.0
  Ir  Ir7  1  0.58250919  0.08152915  0.58250919  1.0
  Ir  Ir8  1  0.58250919  0.58250919  0.08152915  1.0
  Ir  Ir9  1  0.08152915  0.58250919  0.58250919  1.0
  Ir  Ir10  1  0.66619730  0.66619730  0.66619730  1.0
  Ir  Ir11  1  0.50130933  0.50130933  0.50130933  1.0