data_[Na8Tm4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.1076]
_cell_length_b [15.6353]
_cell_length_c [15.3377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2TmI5]
_chemical_formula_sum '[Na8 Tm4 I20]'
_cell_volume [1464.6511]
_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
[
  Na  Na0  8  0.0000  0.1548  0.5553  1.0
  Tm  Tm1  4  0.0000  0.1848  0.2500  1.0
  I  I2  8  0.0000  0.0489  0.1194  1.0
  I  I3  8  0.0000  0.3140  0.0999  1.0
  I  I4  4  0.0000  0.2868  0.7500  1.0
]