data_[Rb2Zr1Tl1Cl8]
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 [P-1]
_cell_length_a [6.3545]
_cell_length_b [7.2049]
_cell_length_c [9.1738]
_cell_angle_alpha [93.7671]
_cell_angle_beta [105.1933]
_cell_angle_gamma [90.9068]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2ZrTlCl8]
_chemical_formula_sum '[Rb2 Zr1 Tl1 Cl8]'
_cell_volume [404.2114]
_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  2  0.3872  0.4880  0.2089  1
  Zr  Zr1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  2  0.1468  0.7101  0.9079  1
  Cl  Cl4  2  0.1838  0.5840  0.5013  1
  Cl  Cl5  2  0.2282  0.1897  0.8786  1
  Cl  Cl6  2  0.2942  0.0180  0.2454  1
]