# generated using pymatgen
data_Th3Zn3Cu2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26708758
_cell_length_b   7.26708757
_cell_length_c   3.99709283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Zn3Cu2Ir
_chemical_formula_sum   'Th3 Zn3 Cu2 Ir1'
_cell_volume   182.80818373
_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  0.41946684  0.00561699  0.50000000  1.0
  Th  Th1  1  0.99438301  0.41384985  0.50000000  1.0
  Th  Th2  1  0.58615015  0.58053316  0.50000000  1.0
  Zn  Zn3  1  0.76751114  0.99686848  0.00000000  1.0
  Zn  Zn4  1  0.00313152  0.77064166  0.00000000  1.0
  Zn  Zn5  1  0.22935834  0.23248886  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