# generated using pymatgen
data_ThAlNi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28499670
_cell_length_b   5.05566614
_cell_length_c   4.07930727
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.27725841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAlNi3Ir
_chemical_formula_sum   'Th1 Al1 Ni3 Ir1'
_cell_volume   90.06556786
_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  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.69040430  0.32874514  0.00000000  1.0
  Ni  Ni3  1  0.30959570  0.67125486  0.00000000  1.0
  Ni  Ni4  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0