data_[K4Zr4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6369]
_cell_length_b [3.2749]
_cell_length_c [9.3098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KZrTl]
_chemical_formula_sum '[K4 Zr4 Tl4]'
_cell_volume [389.0658]
_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
[
  K  K0  2  0.0733  0.0000  0.0202  1
  K  K1  2  0.2723  0.5000  0.7848  1
  Zr  Zr2  2  0.2864  0.5000  0.3864  1
  Zr  Zr3  2  0.4646  0.0000  0.5677  1
  Tl  Tl4  2  0.1013  0.0000  0.4245  1
  Tl  Tl5  2  0.3779  0.0000  0.1695  1
]