data_[Rb34Tl2Cd22]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1334]
_cell_length_b [19.9988]
_cell_length_c [12.1849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb17TlCd11]
_chemical_formula_sum '[Rb34 Tl2 Cd22]'
_cell_volume [2814.7029]
_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  0.0093  0.7105  0.2982  1
  Rb  Rb1  4  0.0613  0.3569  0.9989  1
  Rb  Rb2  4  0.2093  0.2097  0.7034  1
  Rb  Rb3  4  0.3415  0.6592  0.0001  1
  Rb  Rb4  4  0.3508  0.6488  0.4202  1
  Rb  Rb5  4  0.4310  0.1482  0.5794  1
  Rb  Rb6  2  0.0005  0.0000  0.0008  1
  Rb  Rb7  2  0.0010  0.0000  0.6795  1
  Rb  Rb8  2  0.0795  0.5000  0.2817  1
  Rb  Rb9  2  0.3034  0.0000  0.7251  1
  Rb  Rb10  2  0.3184  0.0000  0.3205  1
  Tl  Tl11  2  0.1558  0.5000  0.8287  1
  Cd  Cd12  4  0.0018  0.1673  0.8336  1
  Cd  Cd13  4  0.0813  0.0819  0.3389  1
  Cd  Cd14  4  0.1689  0.1680  0.1617  1
  Cd  Cd15  4  0.2471  0.5832  0.6628  1
  Cd  Cd16  4  0.2532  0.0845  0.0017  1
  Cd  Cd17  2  0.3305  0.5000  0.1655  1
]