data_[Na4Li4Tm4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0881]
_cell_length_b [12.1085]
_cell_length_c [9.6591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaLiTmCl5]
_chemical_formula_sum '[Na4 Li4 Tm4 Cl20]'
_cell_volume [873.7494]
_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  4  0.0000  0.3925  0.7500  1.0
  Li  Li1  4  0.0000  0.2967  0.2500  1.0
  Tm  Tm2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1496  0.1806  0.1373  1.0
  Cl  Cl4  8  0.1770  0.4257  0.4393  1.0
  Cl  Cl5  4  0.0000  0.0894  0.7500  1.0
]