data_[Tm2Hf2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0064]
_cell_length_b [5.6275]
_cell_length_c [8.1800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TmHfF7]
_chemical_formula_sum '[Tm2 Hf2 F14]'
_cell_volume [270.2271]
_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  0.3452  0.1979  0.3161  1.0
  Hf  Hf1  2  0.1883  0.2081  0.7762  1.0
  F  F2  2  0.0411  0.4433  0.2397  1.0
  F  F3  2  0.0773  0.9276  0.2334  1.0
  F  F4  2  0.1392  0.2102  0.5255  1.0
  F  F5  2  0.2448  0.2029  0.0252  1.0
  F  F6  2  0.3802  0.5037  0.7812  1.0
  F  F7  2  0.4531  0.8890  0.4775  1.0
  F  F8  2  0.4570  0.9937  0.7869  1.0
]