data_[Ag4Te4Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.0257]
_cell_length_b [13.4498]
_cell_length_c [6.1800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [AgTeCl2]
_chemical_formula_sum '[Ag4 Te4 Cl8]'
_cell_volume [500.8575]
_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
[
  Ag  Ag0  4  0.0732  0.8652  0.0254  1
  Te  Te1  4  0.0832  0.4838  0.4171  1
  Cl  Cl2  4  0.1223  0.1223  0.9080  1
  Cl  Cl3  4  0.1684  0.6742  0.8997  1
]