data_[Nd16Ag4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0253]
_cell_length_b [13.7366]
_cell_length_c [6.1943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4AgIr]
_chemical_formula_sum '[Nd16 Ag4 Ir4]'
_cell_volume [694.7436]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  8  0.1137  0.1810  0.5746  1.0
  Nd  Nd1  8  0.2152  0.4290  0.8304  1.0
  Ag  Ag2  4  0.0000  0.3776  0.2500  1.0
  Ir  Ir3  4  0.0000  0.0014  0.7500  1.0
]