data_[Sm12Sc4O24]
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 [Cmc2_1]
_cell_length_a [9.1898]
_cell_length_b [11.3728]
_cell_length_c [5.6889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm3ScO6]
_chemical_formula_sum '[Sm12 Sc4 O24]'
_cell_volume [594.5642]
_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  8  0.1961  0.1090  0.0245  1.0
  Sm  Sm1  4  0.0000  0.3972  0.0731  1.0
  Sc  Sc2  4  0.0000  0.1748  0.5021  1.0
  O  O3  8  0.1556  0.2564  0.3267  1.0
  O  O4  8  0.1602  0.4862  0.7994  1.0
  O  O5  4  0.0000  0.0267  0.2897  1.0
  O  O6  4  0.0000  0.2200  0.8485  1.0
]