data_[Tm8Ti4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [4.0534]
_cell_length_b [10.8803]
_cell_length_c [10.4251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm2TiO5]
_chemical_formula_sum '[Tm8 Ti4 O20]'
_cell_volume [459.7702]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  8  0.0000  0.1428  0.5689  1.0
  Ti  Ti1  4  0.0000  0.1736  0.2500  1.0
  O  O2  8  0.0000  0.0511  0.1231  1.0
  O  O3  8  0.0000  0.2924  0.0897  1.0
  O  O4  4  0.0000  0.2707  0.7500  1.0
]