data_[Nd2Si4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.1895]
_cell_length_b [6.0527]
_cell_length_c [5.9035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdSi2Ir]
_chemical_formula_sum '[Nd2 Si4 Ir2]'
_cell_volume [149.7014]
_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  2  0.0000  0.1051  0.8696  1
  Si  Si1  2  0.0000  0.2766  0.3641  1
  Si  Si2  2  0.0000  0.6206  0.0949  1
  Ir  Ir3  2  0.0000  0.5916  0.6714  1
]