data_[Sm4Y8Er20Sc4]
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
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5451]
_cell_length_b [19.5574]
_cell_length_c [10.3635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmY2Er5Sc]
_chemical_formula_sum '[Sm4 Y8 Er20 Sc4]'
_cell_volume [1123.8962]
_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  0.0000  0.4136  0.4556  1
  Y  Y1  4  0.0000  0.1111  0.3155  1
  Y  Y2  4  0.0000  0.1131  0.7344  1
  Er  Er3  4  0.0000  0.0197  0.0208  1
  Er  Er4  4  0.0000  0.2782  0.3199  1
  Er  Er5  4  0.0000  0.2986  0.7051  1
  Er  Er6  4  0.0000  0.3793  0.0203  1
  Er  Er7  4  0.0000  0.4811  0.7383  1
  Sc  Sc8  4  0.0000  0.1975  0.0139  1
]