data_[Tc16Ag16Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6316]
_cell_length_b [11.5732]
_cell_length_c [13.4038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TcAgSe2]
_chemical_formula_sum '[Tc16 Ag16 Se32]'
_cell_volume [1493.9914]
_cell_formula_units_Z [16]
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  8  0.0835  0.2015  0.6740  1
  Tc  Tc1  8  0.1101  0.3642  0.8094  1
  Ag  Ag2  8  0.0464  0.0853  0.4282  1
  Ag  Ag3  8  0.1467  0.4354  0.5835  1
  Se  Se4  8  0.0505  0.2787  0.9711  1
  Se  Se5  8  0.1914  0.2167  0.2809  1
  Se  Se6  8  0.2217  0.0172  0.5811  1
  Se  Se7  4  0.0000  0.0274  0.7500  1
  Se  Se8  4  0.0000  0.4567  0.2500  1
]