data_[Na4Sm2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/c]
_cell_length_a [6.9436]
_cell_length_b [6.5444]
_cell_length_c [13.9949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2SmCuCl6]
_chemical_formula_sum '[Na4 Sm2 Cu2 Cl12]'
_cell_volume [553.6717]
_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
[
  Na  Na0  4  0.1974  0.5045  0.7023  1.0
  Sm  Sm1  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1553  0.7219  0.4933  1.0
  Cl  Cl4  4  0.1765  0.2465  0.8543  1.0
  Cl  Cl5  4  0.4930  0.2147  0.1621  1.0
]