data_[Nd8Sm4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6608]
_cell_length_b [4.1589]
_cell_length_c [11.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2SmIr2]
_chemical_formula_sum '[Nd8 Sm4 Ir8]'
_cell_volume [512.2110]
_cell_formula_units_Z [4]
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  0.0425  0.5000  0.6969  1
  Nd  Nd1  4  0.1715  0.5000  0.0841  1
  Sm  Sm2  4  0.2006  0.0000  0.3612  1
  Ir  Ir3  4  0.0295  0.0000  0.8969  1
  Ir  Ir4  4  0.1248  0.0000  0.5706  1
]