# generated using pymatgen
data_LuThI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09360066
_cell_length_b   7.36475354
_cell_length_c   15.47741835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuThI6
_chemical_formula_sum   'Lu2 Th2 I12'
_cell_volume   922.56826594
_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
  Lu  Lu0  1  0.25068045  0.89843885  0.25000000  1.0
  Lu  Lu1  1  0.24931955  0.39843885  0.25000000  1.0
  Th  Th2  1  0.74994891  0.10144864  0.75000000  1.0
  Th  Th3  1  0.75005109  0.60144864  0.75000000  1.0
  I  I4  1  0.96037996  0.14793207  0.25000000  1.0
  I  I5  1  0.53962004  0.64793207  0.25000000  1.0
  I  I6  1  0.06634889  0.85154556  0.75000000  1.0
  I  I7  1  0.43365111  0.35154556  0.75000000  1.0
  I  I8  1  0.10442950  0.64887981  0.11885116  1.0
  I  I9  1  0.39557050  0.14887981  0.38114884  1.0
  I  I10  1  0.90778291  0.35143713  0.60666111  1.0
  I  I11  1  0.59221709  0.85143713  0.89333889  1.0
  I  I12  1  0.90778291  0.35143713  0.89333889  1.0
  I  I13  1  0.59221709  0.85143713  0.60666111  1.0
  I  I14  1  0.10442950  0.64887981  0.38114884  1.0
  I  I15  1  0.39557050  0.14887981  0.11885116  1.0