data_[Tc1Sb1H1Se1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0594]
_cell_length_b [3.1936]
_cell_length_c [8.2459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TcSbHSeF]
_chemical_formula_sum '[Tc1 Sb1 H1 Se1 F1]'
_cell_volume [80.5665]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.7375  1
  Sb  Sb1  1  0.0000  0.5000  0.4442  1
  H  H2  1  0.5000  0.0000  0.6209  1
  Se  Se3  1  0.5000  0.5000  0.9021  1
  F  F4  1  0.0000  0.0000  0.2494  1
]