data_[Nd12Sm4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.0232]
_cell_length_b [9.4033]
_cell_length_c [7.5295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Nd3SmRu]
_chemical_formula_sum '[Nd12 Sm4 Ru4]'
_cell_volume [638.8605]
_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  8  0.2500  0.0417  0.2500  1
  Nd  Nd1  4  0.0000  0.2500  0.5210  1
  Sm  Sm2  4  0.0000  0.2500  0.9746  1
  Ru  Ru3  4  0.2500  0.2500  0.7500  1
]