data_[Cs4Sm2H2Cl12]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.5506]
_cell_length_b [8.5506]
_cell_length_c [8.7160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2SmHCl6]
_chemical_formula_sum '[Cs4 Sm2 H2 Cl12]'
_cell_volume [637.2524]
_cell_formula_units_Z [2]
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  4  0.0000  0.5000  0.2500  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.2209  0.2209  0.0000  1.0
  Cl  Cl4  4  0.0000  0.0000  0.3210  1.0
]