data_[Tc2Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5279]
_cell_length_b [7.4598]
_cell_length_c [6.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc(HgBr4)2]
_chemical_formula_sum '[Tc2 Hg4 Br16]'
_cell_volume [820.5257]
_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  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  4  0.1613  0.0000  0.4863  1
  Br  Br2  8  0.0508  0.2376  0.2499  1
  Br  Br3  4  0.1412  0.0000  0.8751  1
  Br  Br4  4  0.2003  0.5000  0.6393  1
]