data_[Zn4Tc2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Tc  1.9000  1.3500  0.7417
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0504]
_cell_length_b [9.0441]
_cell_length_c [6.8803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2TcI8]
_chemical_formula_sum '[Zn4 Tc2 I16]'
_cell_volume [936.0553]
_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
[
  Zn  Zn0  4  0.1668  0.0000  0.4195  1
  Tc  Tc1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.0697  0.2155  0.2427  1
  I  I3  4  0.1594  0.0000  0.8063  1
  I  I4  4  0.1690  0.5000  0.6506  1
]