data_[Cu4Tc2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [11.8034]
_cell_length_b [12.2611]
_cell_length_c [6.7718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2TcI8]
_chemical_formula_sum '[Cu4 Tc2 I16]'
_cell_volume [943.6609]
_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
[
  Cu  Cu0  4  0.1889  0.0000  0.6641  1
  Tc  Tc1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.0879  0.1609  0.8010  1
  I  I3  4  0.0820  0.5000  0.2015  1
  I  I4  4  0.2154  0.0000  0.3017  1
]