data_[Sm4Sc2Ti2O12]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5051]
_cell_length_b [5.7878]
_cell_length_c [9.5432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2ScTiO6]
_chemical_formula_sum '[Sm4 Sc2 Ti2 O12]'
_cell_volume [250.8664]
_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  0.2301  0.0660  0.2487  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1340  0.1995  0.9411  1.0
  O  O4  4  0.2465  0.6948  0.9446  1.0
  O  O5  4  0.3556  0.0377  0.7437  1.0
]