data_[Sm4Ti4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1097]
_cell_length_b [9.5530]
_cell_length_c [5.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ti2O7]
_chemical_formula_sum '[Sm4 Ti4 O14]'
_cell_volume [349.4663]
_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  0.0000  0.3075  0.0000  1.0
  Ti  Ti1  4  0.2364  0.0000  0.4072  1.0
  O  O2  8  0.2373  0.1590  0.2111  1.0
  O  O3  4  0.0898  0.5000  0.2786  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]