data_[Ag6Te2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2305]
_cell_length_b [7.9730]
_cell_length_c [4.0776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3TeSe4]
_chemical_formula_sum '[Ag6 Te2 Se8]'
_cell_volume [365.0743]
_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
[
  Ag  Ag0  4  0.2500  0.2500  0.5000  1
  Ag  Ag1  2  0.0000  0.5000  0.0000  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.2560  0.5000  1
  Se  Se4  4  0.2464  0.5000  0.9419  1
]