data_[Sm3Dy1Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3570]
_cell_length_b [5.3570]
_cell_length_c [6.9581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm3DyCd2]
_chemical_formula_sum '[Sm3 Dy1 Cd2]'
_cell_volume [172.9269]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  2  0.3333  0.6667  0.2539  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Dy  Dy2  1  0.0000  0.0000  0.5000  1
  Cd  Cd3  2  0.3333  0.6667  0.7473  1
]