data_[Rb4Sm2Tl2Cl12]
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
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7810]
_cell_length_b [8.2370]
_cell_length_c [13.5281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2SmTlCl6]
_chemical_formula_sum '[Rb4 Sm2 Tl2 Cl12]'
_cell_volume [715.9369]
_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
[
  Rb  Rb0  4  0.2789  0.0709  0.2532  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1104  0.0466  0.7278  1.0
  Cl  Cl4  4  0.2375  0.7257  0.5673  1.0
  Cl  Cl5  4  0.3356  0.1793  0.5537  1.0
]