data_[K8Mg2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.0780]
_cell_length_b [12.9562]
_cell_length_c [4.9338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [K4MgTl2]
_chemical_formula_sum '[K8 Mg2 Tl4]'
_cell_volume [644.2188]
_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  4  0.1904  0.5000  0.5000  1
  K  K1  4  0.2500  0.2500  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.1447  0.5000  1
]