data_[Ce3Nd3Sm6]
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 [R3m]
_cell_length_a [3.6202]
_cell_length_b [3.6202]
_cell_length_c [35.4882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeNdSm2]
_chemical_formula_sum '[Ce3 Nd3 Sm6]'
_cell_volume [402.7892]
_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  0.5002  1.0
  Nd  Nd1  3  0.0000  0.0000  0.6667  1.0
  Sm  Sm2  3  0.0000  0.0000  0.0843  1.0
  Sm  Sm3  3  0.0000  0.0000  0.2488  1.0
]