data_[Sm4Tl4Ag4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8953]
_cell_length_b [12.6258]
_cell_length_c [10.2937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmTlAgCl5]
_chemical_formula_sum '[Sm4 Tl4 Ag4 Cl20]'
_cell_volume [1071.9537]
_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
[
  Sm  Sm0  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3506  0.7500  1.0
  Ag  Ag2  4  0.0000  0.3113  0.2500  1.0
  Cl  Cl3  8  0.1123  0.1950  0.1004  1.0
  Cl  Cl4  8  0.1861  0.4451  0.4361  1.0
  Cl  Cl5  4  0.0000  0.0762  0.7500  1.0
]