data_[Tm4Se4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0806]
_cell_length_b [7.0898]
_cell_length_c [6.6916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSeO4F]
_chemical_formula_sum '[Tm4 Se4 O16 F4]'
_cell_volume [413.3034]
_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  0.2040  0.0000  0.1157  1.0
  Se  Se1  4  0.1503  0.5000  0.2825  1.0
  O  O2  8  0.1955  0.3207  0.1430  1.0
  O  O3  4  0.0340  0.5000  0.7341  1.0
  O  O4  4  0.2384  0.0000  0.4769  1.0
  F  F5  4  0.0201  0.0000  0.8274  1.0
]