data_[Tc4Ag8Se4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.9440]
_cell_length_b [11.8628]
_cell_length_c [7.0045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TcAg2SeS2]
_chemical_formula_sum '[Tc4 Ag8 Se4 S8]'
_cell_volume [546.6917]
_cell_formula_units_Z [4]
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  4  0.3719  0.0801  0.9321  1
  Ag  Ag1  4  0.3632  0.2071  0.3822  1
  Ag  Ag2  4  0.3810  0.4240  0.9155  1
  Se  Se3  4  0.2314  0.3942  0.5233  1
  S  S4  4  0.2471  0.2396  0.0117  1
  S  S5  4  0.2657  0.0598  0.5943  1
]