data_[Na8Tm4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2530]
_cell_length_b [13.8694]
_cell_length_c [13.5482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2TmCl5]
_chemical_formula_sum '[Na8 Tm4 Cl20]'
_cell_volume [987.0676]
_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  0.1450  0.5566  1.0
  Tm  Tm1  4  0.0000  0.1792  0.2500  1.0
  Cl  Cl2  8  0.0000  0.0454  0.1214  1.0
  Cl  Cl3  8  0.0000  0.3006  0.0992  1.0
  Cl  Cl4  4  0.0000  0.2891  0.7500  1.0
]