data_[K4Tc4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7321]
_cell_length_b [7.8379]
_cell_length_c [9.8533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTcBr5]
_chemical_formula_sum '[K4 Tc4 Br20]'
_cell_volume [1063.0994]
_cell_formula_units_Z [4]
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  0.0000  0.4679  0.2500  1
  Tc  Tc1  4  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1283  0.2202  0.5243  1
  Br  Br3  8  0.1302  0.2171  0.1137  1
  Br  Br4  4  0.0000  0.1098  0.7500  1
]