data_[Mn4Tc2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [15.4049]
_cell_length_b [8.8910]
_cell_length_c [7.0756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2TcI8]
_chemical_formula_sum '[Mn4 Tc2 I16]'
_cell_volume [968.1974]
_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
[
  Mn  Mn0  4  0.1611  0.0000  0.4309  1
  Tc  Tc1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.0669  0.2208  0.2384  1
  I  I3  4  0.1570  0.0000  0.8156  1
  I  I4  4  0.1741  0.5000  0.6274  1
]