# generated using pymatgen
data_CaNdFeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18659401
_cell_length_b   5.18659322
_cell_length_c   5.18659312
_cell_angle_alpha   64.09431391
_cell_angle_beta   64.09431362
_cell_angle_gamma   64.09430988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdFeIr3
_chemical_formula_sum   'Ca1 Nd1 Fe1 Ir3'
_cell_volume   107.54706872
_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  0.99926077  0.99926077  0.99926077  1.0
  Nd  Nd1  1  0.24943165  0.24943165  0.24943165  1.0
  Fe  Fe2  1  0.62507361  0.62507361  0.62507361  1.0
  Ir  Ir3  1  0.62605464  0.62605464  0.12412568  1.0
  Ir  Ir4  1  0.62605464  0.12412568  0.62605464  1.0
  Ir  Ir5  1  0.12412568  0.62605464  0.62605464  1.0