data_[Sm4Sc8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1838]
_cell_length_b [10.4655]
_cell_length_c [10.4683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmSc2O4]
_chemical_formula_sum '[Sm4 Sc8 O16]'
_cell_volume [348.8046]
_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  0.3802  0.2500  1.0
  Sc  Sc1  8  0.0000  0.1296  0.0683  1.0
  O  O2  8  0.0000  0.2286  0.6119  1.0
  O  O3  4  0.0000  0.0459  0.2500  1.0
  O  O4  4  0.0000  0.5000  0.0000  1.0
]