data_[K2Be2Tl2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7432]
_cell_length_b [6.8868]
_cell_length_c [9.1085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBeTlCl4]
_chemical_formula_sum '[K2 Be2 Tl2 Cl8]'
_cell_volume [402.3298]
_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  0.2126  0.2500  0.5352  1.0
  Be  Be1  2  0.1966  0.7500  0.2850  1.0
  Tl  Tl2  2  0.2855  0.2500  0.0724  1.0
  Cl  Cl3  4  0.0051  0.5124  0.2270  1.0
  Cl  Cl4  2  0.3345  0.7500  0.5182  1.0
  Cl  Cl5  2  0.4041  0.7500  0.1644  1.0
]