data_[Na3Tm6F21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8991]
_cell_length_b [3.8991]
_cell_length_c [31.8669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaTm2F7]
_chemical_formula_sum '[Na3 Tm6 F21]'
_cell_volume [419.5660]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  -0.0000  -0.0000  0.5000  1.0
  Tm  Tm1  6  0.0000  0.0000  0.0679  1.0
  F  F2  6  0.0000  0.0000  0.1341  1.0
  F  F3  6  0.0000  0.0000  0.2797  1.0
  F  F4  6  0.0000  0.0000  0.4171  1.0
  F  F5  3  0.0000  0.0000  0.0000  1.0
]