data_[Sm8H4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [15.7145]
_cell_length_b [3.7296]
_cell_length_c [10.5852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2HCl3]
_chemical_formula_sum '[Sm8 H4 Cl12]'
_cell_volume [556.0105]
_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  0.0931  0.5000  0.4461  1.0
  Sm  Sm1  4  0.1395  0.0000  0.8027  1.0
  H  H2  4  0.0730  0.5000  0.6531  1.0
  Cl  Cl3  4  0.0462  0.0000  0.2306  1.0
  Cl  Cl4  4  0.1608  0.5000  0.0156  1.0
  Cl  Cl5  4  0.2285  0.0000  0.6205  1.0
]