data_[Sm2Er4Sc16]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4717]
_cell_length_b [6.7916]
_cell_length_c [16.1534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm(ErSc4)2]
_chemical_formula_sum '[Sm2 Er4 Sc16]'
_cell_volume [600.2864]
_cell_formula_units_Z [2]
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  0.5000  0.5000  1
  Er  Er1  4  0.0000  0.0000  0.3102  1
  Sc  Sc2  8  0.0000  0.2280  0.1304  1
  Sc  Sc3  4  0.0000  0.5000  0.2973  1
  Sc  Sc4  4  0.2431  0.0000  0.5000  1
]