data_[K2Y2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5009]
_cell_length_b [3.6245]
_cell_length_c [5.7603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KYTl2]
_chemical_formula_sum '[K2 Y2 Tl4]'
_cell_volume [254.3040]
_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  2  0.2670  0.0000  0.8278  1
  Y  Y1  2  0.4866  0.0000  0.4119  1
  Tl  Tl2  2  0.0129  0.0000  0.9385  1
  Tl  Tl3  2  0.2334  0.5000  0.3218  1
]