data_[Rb2Tl4Sn4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.1782]
_cell_length_b [27.4336]
_cell_length_c [7.0053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [RbTl2Sn2I7]
_chemical_formula_sum '[Rb2 Tl4 Sn4 I14]'
_cell_volume [1187.3304]
_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  2  0.0000  0.0000  0.9080  1
  Tl  Tl1  4  0.0000  0.2865  0.4345  1
  Sn  Sn2  4  0.0000  0.3889  0.9876  1
  I  I3  4  0.0000  0.1173  0.5817  1
  I  I4  4  0.0000  0.2710  0.9226  1
  I  I5  4  0.0000  0.4103  0.5754  1
  I  I6  2  0.0000  0.5000  0.0887  1
]