data_[Sm2Ni2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.4649]
_cell_length_b [3.7690]
_cell_length_c [19.4390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SmNiCl5]
_chemical_formula_sum '[Sm2 Ni2 Cl10]'
_cell_volume [1059.7703]
_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
[
  Sm  Sm0  2  0.2500  0.0000  0.5160  1
  Ni  Ni1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  4  0.0606  0.0000  0.5681  1
  Cl  Cl3  4  0.1421  0.5000  0.4398  1
  Cl  Cl4  2  0.2500  0.5000  0.6142  1
]