data_[Tc4Cl2F14]
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 [Cmmm]
_cell_length_a [6.3447]
_cell_length_b [11.8556]
_cell_length_c [4.1061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tc2ClF7]
_chemical_formula_sum '[Tc4 Cl2 F14]'
_cell_volume [308.8568]
_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
[
  Tc  Tc0  4  0.0000  0.3254  0.5000  1
  Cl  Cl1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.1937  0.1562  0.5000  1
  F  F3  4  0.0000  0.3215  0.0000  1
  F  F4  2  0.0000  0.5000  0.5000  1
]