data_[Rb1Zr1Tl2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6457]
_cell_length_b [9.1701]
_cell_length_c [6.9681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbZr(TlCl4)2]
_chemical_formula_sum '[Rb1 Zr1 Tl2 Cl8]'
_cell_volume [424.6373]
_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  0.0000  0.5000  0.0000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.5000  0.2513  0.5000  1.0
  Cl  Cl3  4  0.2232  0.1945  0.1376  1.0
  Cl  Cl4  2  0.2091  0.0000  0.7034  1.0
  Cl  Cl5  2  0.2803  0.5000  0.6260  1.0
]