data_[Cs16Tc8Ag8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Fddd]
_cell_length_a [6.1736]
_cell_length_b [14.7279]
_cell_length_c [25.2901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs2TcAgSe4]
_chemical_formula_sum '[Cs16 Tc8 Ag8 Se32]'
_cell_volume [2299.4555]
_cell_formula_units_Z [8]
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
[
  Cs  Cs0  16  0.0000  0.0000  0.1793  1
  Tc  Tc1  8  0.0000  0.0000  0.5000  1
  Ag  Ag2  8  0.0000  0.0000  0.0000  1
  Se  Se3  32  0.0369  0.1547  0.6945  1
]