# generated using pymatgen
data_Th4Ni3Ir11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31572072
_cell_length_b   5.31572103
_cell_length_c   13.15492716
_cell_angle_alpha   78.34355424
_cell_angle_beta   78.34355422
_cell_angle_gamma   59.99999782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Ni3Ir11
_chemical_formula_sum   'Th4 Ni3 Ir11'
_cell_volume   313.03335148
_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  0.94979149  0.94979149  0.15062654  1.0
  Th  Th1  1  0.04976538  0.04976538  0.85070387  1.0
  Th  Th2  1  0.85345380  0.85345380  0.43964060  1.0
  Th  Th3  1  0.14736242  0.14736242  0.55791273  1.0
  Ni  Ni4  1  0.27872010  0.27872010  0.16384170  1.0
  Ni  Ni5  1  0.61211441  0.61211441  0.16365678  1.0
  Ni  Ni6  1  0.38674384  0.38674384  0.83976649  1.0
  Ir  Ir7  1  0.39141928  0.39141928  0.32071455  1.0
  Ir  Ir8  1  0.89644789  0.39141928  0.32071455  1.0
  Ir  Ir9  1  0.39141928  0.89644789  0.32071455  1.0
  Ir  Ir10  1  0.60750252  0.60750252  0.67423323  1.0
  Ir  Ir11  1  0.11076173  0.60750252  0.67423323  1.0
  Ir  Ir12  1  0.60750252  0.11076173  0.67423323  1.0
  Ir  Ir13  1  0.00095956  0.49693384  0.00517277  1.0
  Ir  Ir14  1  0.49693384  0.00095956  0.00517277  1.0
  Ir  Ir15  1  0.49693384  0.49693384  0.00517277  1.0
  Ir  Ir16  1  0.72049175  0.72049175  0.83852276  1.0
  Ir  Ir17  1  0.50167837  0.50167837  0.49496590  1.0