data_[Sm1Y1Sc1Cd1]
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
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5512]
_cell_length_b [3.5512]
_cell_length_c [8.8458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SmYScCd]
_chemical_formula_sum '[Sm1 Y1 Sc1 Cd1]'
_cell_volume [111.5547]
_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  1  0.0000  0.0000  0.0872  1.0
  Y  Y1  1  0.5000  0.5000  0.7931  1.0
  Sc  Sc2  1  0.5000  0.5000  0.3525  1.0
  Cd  Cd3  1  0.0000  0.0000  0.5520  1.0
]