data_[Tm4H4O4F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0027]
_cell_length_b [6.4556]
_cell_length_c [6.6149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TmHOF]
_chemical_formula_sum '[Tm4 H4 O4 F4]'
_cell_volume [176.6420]
_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  0.3792  0.1580  0.6592  1
  H  H1  4  0.0012  0.5332  0.3298  1
  O  O2  4  0.2354  0.0661  0.2783  1
  F  F3  4  0.1653  0.6713  0.0759  1
]