data_[Cs8Sm4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5532]
_cell_length_b [17.6938]
_cell_length_c [15.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs2SmCl5]
_chemical_formula_sum '[Cs8 Sm4 Cl20]'
_cell_volume [1514.3428]
_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
[
  Cs  Cs0  8  0.0000  0.1395  0.5674  1.0
  Sm  Sm1  4  0.0000  0.1542  0.2500  1.0
  Cl  Cl2  8  0.0000  0.0467  0.1286  1.0
  Cl  Cl3  8  0.0000  0.2596  0.1199  1.0
  Cl  Cl4  4  0.0000  0.3284  0.7500  1.0
]