data_[Tm6B2O6F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.5462]
_cell_length_b [8.5462]
_cell_length_c [3.5774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Tm3B(OF)3]
_chemical_formula_sum '[Tm6 B2 O6 F6]'
_cell_volume [226.2795]
_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  6  0.1468  0.7161  0.2500  1
  B  B1  2  0.3333  0.6667  0.7500  1
  O  O2  6  0.1379  0.5154  0.7500  1
  F  F3  6  0.0159  0.7658  0.7500  1
]