data_[Nd4In2Si4Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.9598]
_cell_length_b [9.9598]
_cell_length_c [3.5916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Nd2InSi2Ir5]
_chemical_formula_sum '[Nd4 In2 Si4 Ir10]'
_cell_volume [356.2803]
_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  4  0.1773  0.3227  0.0000  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.1208  0.6208  0.0000  1
  Ir  Ir3  8  0.0672  0.7794  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.5000  1
]