data_[Ag1Te2Se6]
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 [P-1]
_cell_length_a [5.4176]
_cell_length_b [7.6379]
_cell_length_c [7.7479]
_cell_angle_alpha [118.7106]
_cell_angle_beta [95.1202]
_cell_angle_gamma [94.4273]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag(TeSe3)2]
_chemical_formula_sum '[Ag1 Te2 Se6]'
_cell_volume [277.4052]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Te  Te1  2  0.4896  0.3405  0.6668  1
  Se  Se2  2  0.1194  0.3564  0.2951  1
  Se  Se3  2  0.1687  0.0060  0.6116  1
  Se  Se4  2  0.2291  0.6151  0.9047  1
]