data_[Tm2Ti4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4376]
_cell_length_b [5.4208]
_cell_length_c [5.2492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmTi2F8]
_chemical_formula_sum '[Tm2 Ti4 F16]'
_cell_volume [293.9544]
_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
[
  Tm  Tm0  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  4  0.2346  0.5000  0.5098  1
  F  F2  8  0.1336  0.2388  0.2551  1
  F  F3  4  0.1187  0.5000  0.7471  1
  F  F4  4  0.1295  0.0000  0.7269  1
]