data_[Nd4Si2P2Ir12]
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
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.4635]
_cell_length_b [8.6652]
_cell_length_c [7.9184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd2SiPIr6]
_chemical_formula_sum '[Nd4 Si2 P2 Ir12]'
_cell_volume [374.8721]
_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  0.0000  0.2327  0.7146  1
  Si  Si1  2  0.0000  0.5000  0.2614  1
  P  P2  2  0.0000  0.0000  0.2478  1
  Ir  Ir3  4  0.0000  0.2516  0.1022  1
  Ir  Ir4  4  0.2406  0.5000  0.5192  1
  Ir  Ir5  4  0.2447  0.5000  0.9937  1
]