data_[Rb2Zr2Tl2]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5188]
_cell_length_b [4.9746]
_cell_length_c [13.4507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [RbZrTl]
_chemical_formula_sum '[Rb2 Zr2 Tl2]'
_cell_volume [235.4454]
_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  1  0.0000  0.0000  0.4935  1
  Rb  Rb1  1  0.5000  0.5000  0.8057  1
  Zr  Zr2  1  0.0000  0.5000  0.2526  1
  Zr  Zr3  1  0.5000  0.5000  0.0748  1
  Tl  Tl4  1  0.0000  0.0000  0.0252  1
  Tl  Tl5  1  0.5000  0.0000  0.2414  1
]