data_[Ag16Te2Se4]
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 [Cm]
_cell_length_a [7.2413]
_cell_length_b [15.2073]
_cell_length_c [4.4670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ag8TeSe2]
_chemical_formula_sum '[Ag16 Te2 Se4]'
_cell_volume [478.6647]
_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  0.0921  0.1424  0.3099  1
  Ag  Ag1  4  0.2898  0.3673  0.7140  1
  Ag  Ag2  4  0.4711  0.1148  0.0761  1
  Ag  Ag3  2  0.0019  0.5000  0.5898  1
  Ag  Ag4  2  0.2920  0.5000  0.2172  1
  Te  Te5  2  0.0891  0.0000  0.8727  1
  Se  Se6  4  0.4386  0.7860  0.5600  1
]