data_[Cs2Sm2Cu2Cl12]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.3916]
_cell_length_b [11.0488]
_cell_length_c [7.7843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsSmCuCl6]
_chemical_formula_sum '[Cs2 Sm2 Cu2 Cl12]'
_cell_volume [629.8980]
_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  2  0.0000  0.0430  0.0000  1.0
  Sm  Sm1  2  0.0000  0.6833  0.5000  1.0
  Cu  Cu2  2  0.0000  0.3311  0.5000  1.0
  Cl  Cl3  4  0.1107  0.4778  0.6939  1.0
  Cl  Cl4  4  0.1814  0.1864  0.6510  1.0
  Cl  Cl5  4  0.1826  0.8081  0.7525  1.0
]