data_[Sm12Er8Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6317]
_cell_length_b [19.4036]
_cell_length_c [8.0733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm3(ErCd2)2]
_chemical_formula_sum '[Sm12 Er8 Cd16]'
_cell_volume [1038.8551]
_cell_formula_units_Z [4]
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  8  0.2500  0.2458  0.7500  1
  Sm  Sm1  4  0.0000  0.0000  0.0000  1
  Er  Er2  8  0.0000  0.0893  0.3991  1
  Cd  Cd3  8  0.0000  0.1560  0.0218  1
  Cd  Cd4  8  0.2500  0.0787  0.7500  1
]