data_[Tc4Cl12F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4673]
_cell_length_b [6.7542]
_cell_length_c [9.6739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TcCl3F2]
_chemical_formula_sum '[Tc4 Cl12 F8]'
_cell_volume [693.0345]
_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  0.2168  0.7500  1
  Cl  Cl1  8  0.1560  0.2357  0.6551  1
  Cl  Cl2  4  0.0000  0.1065  0.2500  1
  F  F3  8  0.1083  0.3384  0.9219  1
]