data_[Tc2Sb1Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.9866]
_cell_length_b [3.5490]
_cell_length_c [9.6998]
_cell_angle_alpha [82.0907]
_cell_angle_beta [89.2672]
_cell_angle_gamma [65.5967]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tc2SbCl]
_chemical_formula_sum '[Tc2 Sb1 Cl1]'
_cell_volume [92.6275]
_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  0.2519  0.5009  0.5605  1
  Tc  Tc1  1  0.5265  0.9408  0.7182  1
  Sb  Sb2  1  0.9683  0.0397  0.9582  1
  Cl  Cl3  1  0.7733  0.4727  0.3656  1
]