data_[Sm4Ti2Cu2O12]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4491]
_cell_length_b [5.8397]
_cell_length_c [9.2975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2TiCuO6]
_chemical_formula_sum '[Sm4 Ti2 Cu2 O12]'
_cell_volume [240.6938]
_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  0.2677  0.5715  0.2505  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.5000  0.0000  0.5000  1.0
  O  O3  4  0.1464  0.5356  0.7516  1.0
  O  O4  4  0.2369  0.2091  0.5550  1.0
  O  O5  4  0.3444  0.6784  0.5522  1.0
]