# generated using pymatgen
data_CaNdNiIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22695559
_cell_length_b   5.22695604
_cell_length_c   5.22695514
_cell_angle_alpha   61.89152948
_cell_angle_beta   61.89153451
_cell_angle_gamma   61.89152311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdNiIr3
_chemical_formula_sum   'Ca1 Nd1 Ni1 Ir3'
_cell_volume   105.25474872
_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  0.99972592  0.99972592  0.99972592  1.0
  Nd  Nd1  1  0.24911491  0.24911491  0.24911491  1.0
  Ni  Ni2  1  0.62553746  0.62553746  0.62553746  1.0
  Ir  Ir3  1  0.12436552  0.62562760  0.62562760  1.0
  Ir  Ir4  1  0.62562760  0.12436552  0.62562760  1.0
  Ir  Ir5  1  0.62562760  0.62562760  0.12436552  1.0