data_[Nd2Sm4Ir4]
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 [P2_1/m]
_cell_length_a [5.7127]
_cell_length_b [4.4535]
_cell_length_c [10.6768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(SmIr)2]
_chemical_formula_sum '[Nd2 Sm4 Ir4]'
_cell_volume [268.7200]
_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  0.4502  0.7500  0.2114  1
  Sm  Sm1  2  0.1145  0.7500  0.8868  1
  Sm  Sm2  2  0.2309  0.2500  0.4670  1
  Ir  Ir3  2  0.3034  0.7500  0.6365  1
  Ir  Ir4  2  0.3437  0.2500  0.0323  1
]