data_[Na6Tm3Zn9F36]
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
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4382]
_cell_length_b [7.4382]
_cell_length_c [19.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2TmZn3F12]
_chemical_formula_sum '[Na6 Tm3 Zn9 F36]'
_cell_volume [919.6234]
_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  6  0.0000  0.0000  0.2897  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0452  0.5226  0.6088  1.0
  F  F4  18  0.0886  0.5443  0.8517  1.0
]