data_[Sm4Y1Cd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8060]
_cell_length_b [3.8060]
_cell_length_c [19.0426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm4YCd5]
_chemical_formula_sum '[Sm4 Y1 Cd5]'
_cell_volume [275.8477]
_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  0.0000  0.0000  0.1981  1.0
  Sm  Sm1  2  0.0000  0.0000  0.3993  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.5000  0.5000  0.0958  1.0
  Cd  Cd4  2  0.5000  0.5000  0.2989  1.0
  Cd  Cd5  1  0.5000  0.5000  0.5000  1.0
]