data_[Tc2Ni4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7642]
_cell_length_b [9.5777]
_cell_length_c [6.7469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc(NiI4)2]
_chemical_formula_sum '[Tc2 Ni4 I16]'
_cell_volume [888.8442]
_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
  Ni  Ni1  4  0.1734  0.0000  0.6120  1
  I  I2  8  0.0812  0.2005  0.7689  1
  I  I3  4  0.1498  0.5000  0.3095  1
  I  I4  4  0.1699  0.0000  0.2331  1
]