data_[Ce3Nd21Sm36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6396]
_cell_length_b [12.6396]
_cell_length_c [14.9706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CeNd7Sm12]
_chemical_formula_sum '[Ce3 Nd21 Sm36]'
_cell_volume [2071.2702]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  0.0000  0.0000  0.0000  1
  Nd  Nd1  18  0.0635  0.8405  0.8930  1
  Nd  Nd2  3  0.0000  0.0000  0.5000  1
  Sm  Sm3  18  0.0213  0.4375  0.2220  1
  Sm  Sm4  18  0.0601  0.1891  0.3132  1
]