data_[Nd6Sm6Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8931]
_cell_length_b [10.9774]
_cell_length_c [11.0270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd3Sm3Ni4]
_chemical_formula_sum '[Nd6 Sm6 Ni8]'
_cell_volume [471.2490]
_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  0.2499  0.2514  1
  Nd  Nd1  2  0.5000  0.0000  0.1637  1
  Sm  Sm2  4  0.5000  0.1650  0.5012  1
  Sm  Sm3  2  0.5000  0.0000  0.8337  1
  Ni  Ni4  4  0.0000  0.1183  0.9974  1
  Ni  Ni5  2  0.0000  0.0000  0.3845  1
  Ni  Ni6  2  0.0000  0.0000  0.6182  1
]