# generated using pymatgen
data_CaNdAlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70169924
_cell_length_b   5.70169919
_cell_length_c   5.70169887
_cell_angle_alpha   138.61010223
_cell_angle_beta   118.39394843
_cell_angle_gamma   76.95248553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdAlIr2
_chemical_formula_sum   'Ca1 Nd1 Al1 Ir2'
_cell_volume   105.04185625
_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
  Ca  Ca0  1  0.29924648  0.79924548  0.49999900  1.0
  Nd  Nd1  1  0.69496813  0.19496813  0.50000000  1.0
  Al  Al2  1  0.00118311  0.00118311  1.00000000  1.0
  Ir  Ir3  1  0.74338600  0.50230114  0.24108486  1.0
  Ir  Ir4  1  0.26121728  0.50230014  0.75891514  1.0