data_[Na6Tm3Ag3I18]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8952]
_cell_length_b [7.8952]
_cell_length_c [22.5004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2TmAgI6]
_chemical_formula_sum '[Na6 Tm3 Ag3 I18]'
_cell_volume [1214.6249]
_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  0.4728  1
  Na  Na1  3  0.0000  0.0000  0.9916  1
  Tm  Tm2  3  0.0000  0.0000  0.6686  1
  Ag  Ag3  3  0.0000  0.0000  0.2550  1
  I  I4  9  0.0021  0.7003  0.5789  1
  I  I5  9  0.0108  0.3571  0.4041  1
]