data_[K2Hf2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4086]
_cell_length_b [4.9500]
_cell_length_c [12.8033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KHfTl]
_chemical_formula_sum '[K2 Hf2 Tl2]'
_cell_volume [215.9751]
_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
[
  K  K0  1  0.0115  0.5000  0.2451  1
  K  K1  1  0.4757  0.0000  0.5385  1
  Hf  Hf2  1  0.4747  0.0000  0.8158  1
  Hf  Hf3  1  0.9902  0.0000  0.0014  1
  Tl  Tl4  1  0.4895  0.5000  0.9905  1
  Tl  Tl5  1  0.9702  0.5000  0.7562  1
]