data_[Sm4Dy12Sc4]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8902]
_cell_length_b [3.4997]
_cell_length_c [11.2525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmDy3Sc]
_chemical_formula_sum '[Sm4 Dy12 Sc4]'
_cell_volume [613.4458]
_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  4  0.1275  0.0000  0.7240  1.0
  Dy  Dy1  4  0.0251  0.0000  0.1483  1.0
  Dy  Dy2  4  0.0752  0.5000  0.4282  1.0
  Dy  Dy3  4  0.1676  0.5000  0.0431  1.0
  Sc  Sc4  4  0.2221  0.0000  0.3555  1.0
]