data_[K4Rb4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6060]
_cell_length_b [6.2061]
_cell_length_c [9.0999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KRbTl]
_chemical_formula_sum '[K4 Rb4 Tl4]'
_cell_volume [637.1942]
_cell_formula_units_Z [4]
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  0.0182  0.0000  0.7152  1
  K  K1  2  0.1152  0.5000  0.4733  1
  Rb  Rb2  2  0.3009  0.5000  0.1810  1
  K  K3  2  0.4138  0.0000  0.9502  1
  Tl  Tl4  2  0.1058  0.0000  0.1785  1
  Tl  Tl5  2  0.3096  0.0000  0.5008  1
]