data_[Ba4Ag8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1041]
_cell_length_b [4.6830]
_cell_length_c [11.9275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba(AgTe)2]
_chemical_formula_sum '[Ba4 Ag8 Te8]'
_cell_volume [620.2333]
_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
[
  Ba  Ba0  4  0.2430  0.7500  0.6936  1.0
  Ag  Ag1  4  0.0598  0.2500  0.9149  1.0
  Ag  Ag2  4  0.0616  0.2500  0.4523  1.0
  Te  Te3  4  0.0222  0.7500  0.3129  1.0
  Te  Te4  4  0.1825  0.7500  0.9818  1.0
]