data_[Sr4Tm2Ti2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  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 [10.0069]
_cell_length_b [5.8010]
_cell_length_c [5.8384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2TmTiO6]
_chemical_formula_sum '[Sr4 Tm2 Ti2 O12]'
_cell_volume [277.4975]
_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
[
  Sr  Sr0  4  0.2478  0.0000  0.7383  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0404  0.7385  0.3055  1.0
  O  O4  4  0.2354  0.5000  0.8093  1.0
]