data_[Sm4Sc2Al2O12]
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
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4255]
_cell_length_b [5.6082]
_cell_length_c [9.4586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2ScAlO6]
_chemical_formula_sum '[Sm4 Sc2 Al2 O12]'
_cell_volume [236.6216]
_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  4  0.2644  0.5539  0.7502  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1652  0.5302  0.2611  1.0
  O  O4  4  0.2647  0.1945  0.0495  1.0
  O  O5  4  0.3595  0.7139  0.0523  1.0
]