data_[La4Nd2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9390]
_cell_length_b [4.4533]
_cell_length_c [10.8381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2NdIr2]
_chemical_formula_sum '[La4 Nd2 Ir4]'
_cell_volume [282.9730]
_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
[
  La  La0  2  0.1113  0.7500  0.8836  1
  La  La1  2  0.2325  0.2500  0.4663  1
  Nd  Nd2  2  0.4591  0.7500  0.2057  1
  Ir  Ir3  2  0.3091  0.7500  0.6348  1
  Ir  Ir4  2  0.3360  0.2500  0.0298  1
]