data_[Fe8Tc2F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Tc  1.9000  1.3500  0.7417
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.6523]
_cell_length_b [7.8794]
_cell_length_c [8.4221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Fe4TcF12]
_chemical_formula_sum '[Fe8 Tc2 F24]'
_cell_volume [507.8093]
_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
[
  Fe  Fe0  8  0.2500  0.2500  0.2500  1
  Tc  Tc1  2  0.0000  0.5000  0.0000  1
  F  F2  8  0.0000  0.1986  0.2810  1
  F  F3  8  0.1804  0.3104  0.0000  1
  F  F4  8  0.1911  0.5000  0.2671  1
]