data_[Rb1Sm1Cu1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P1]
_cell_length_a [6.5947]
_cell_length_b [6.6704]
_cell_length_c [7.3814]
_cell_angle_alpha [92.8653]
_cell_angle_beta [94.2490]
_cell_angle_gamma [113.5884]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbSmCuCl6]
_chemical_formula_sum '[Rb1 Sm1 Cu1 Cl6]'
_cell_volume [295.6227]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  1  0.9662  0.0245  0.9996  1.0
  Sm  Sm1  1  0.3206  0.6863  0.5043  1.0
  Cu  Cu2  1  0.6774  0.3428  0.4885  1.0
  Cl  Cl3  1  0.3756  0.9814  0.7712  1.0
  Cl  Cl4  1  0.4016  0.3711  0.2955  1.0
  Cl  Cl5  1  0.6279  0.0145  0.3312  1.0
  Cl  Cl6  1  0.6450  0.5937  0.6976  1.0
  Cl  Cl7  1  0.9916  0.3565  0.6600  1.0
  Cl  Cl8  1  0.9940  0.6290  0.2523  1.0
]