data_[Nd16Sn2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9334]
_cell_length_b [13.7188]
_cell_length_c [5.6437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8SnIr2]
_chemical_formula_sum '[Nd16 Sn2 Ir4]'
_cell_volume [672.8038]
_cell_formula_units_Z [2]
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  0.1991  0.1265  0.0676  1
  Nd  Nd1  4  0.0000  0.2492  0.5000  1
  Nd  Nd2  4  0.1095  0.5000  0.3018  1
  Sn  Sn3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.3050  0.0000  1
]