data_[Tm4H4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8134]
_cell_length_b [3.4643]
_cell_length_c [4.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmHO2]
_chemical_formula_sum '[Tm4 H4 O8]'
_cell_volume [187.0726]
_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  4  0.1441  0.7500  0.9032  1.0
  H  H1  4  0.0989  0.2500  0.3636  1.0
  O  O2  4  0.0660  0.2500  0.1761  1.0
  O  O3  4  0.1906  0.2500  0.6551  1.0
]