data_[Nd14Sm4Ni4]
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 [C2/m]
_cell_length_a [10.9420]
_cell_length_b [9.9488]
_cell_length_c [6.6268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd7(SmNi)2]
_chemical_formula_sum '[Nd14 Sm4 Ni4]'
_cell_volume [685.2867]
_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  8  0.1739  0.3148  0.2067  1
  Nd  Nd1  4  0.1281  0.5000  0.7256  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Sm  Sm3  4  0.0000  0.1718  0.5000  1
  Ni  Ni4  4  0.1800  0.0000  0.4452  1
]