data_[Sm4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2579]
_cell_length_b [13.3714]
_cell_length_c [8.3813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmCuCl5]
_chemical_formula_sum '[Sm4 Cu4 Cl20]'
_cell_volume [792.0937]
_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  0.4602  0.2500  1
  Cu  Cu1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.1093  0.3904  0.9714  1
  Cl  Cl3  8  0.1705  0.1342  0.6139  1
  Cl  Cl4  4  0.0000  0.0703  0.2500  1
]