# generated using pymatgen
data_Th3Al3Cu2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14539646
_cell_length_b   7.14539655
_cell_length_c   4.17969718
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Al3Cu2Ir
_chemical_formula_sum   'Th3 Al3 Cu2 Ir1'
_cell_volume   184.81111972
_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
  Th  Th0  1  0.42120496  0.00179738  0.50000000  1.0
  Th  Th1  1  0.99820262  0.41940759  0.50000000  1.0
  Th  Th2  1  0.58059241  0.57879504  0.50000000  1.0
  Al  Al3  1  0.77121487  0.00400970  0.00000000  1.0
  Al  Al4  1  0.99599030  0.76720518  0.00000000  1.0
  Al  Al5  1  0.23279482  0.22878513  0.00000000  1.0
  Cu  Cu6  1  0.33333300  0.66666700  0.00000000  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir8  1  0.66666700  0.33333300  0.00000000  1.0