data_[Tc4Pb4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7481]
_cell_length_b [7.1237]
_cell_length_c [8.0399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TcPbF5]
_chemical_formula_sum '[Tc4 Pb4 F20]'
_cell_volume [505.7623]
_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
[
  Tc  Tc0  4  0.0000  0.0000  0.0000  1
  Pb  Pb1  4  0.0000  0.4648  0.7500  1
  F  F2  8  0.0056  0.2900  0.4707  1
  F  F3  8  0.2237  0.0099  0.1162  1
  F  F4  4  0.0000  0.0860  0.7500  1
]