data_[K2Be2Tl2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1435]
_cell_length_b [7.2957]
_cell_length_c [9.4184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBeTlBr4]
_chemical_formula_sum '[K2 Be2 Tl2 Br8]'
_cell_volume [466.3746]
_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  0.2159  0.2500  0.5419  1.0
  Be  Be1  2  0.2003  0.7500  0.2866  1.0
  Tl  Tl2  2  0.2781  0.2500  0.0725  1.0
  Br  Br3  4  0.0031  0.5087  0.2287  1.0
  Br  Br4  2  0.3489  0.7500  0.5290  1.0
  Br  Br5  2  0.4030  0.7500  0.1528  1.0
]