data_[Ba2Ag4Te4]
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 [P-1]
_cell_length_a [4.8502]
_cell_length_b [7.2540]
_cell_length_c [9.3719]
_cell_angle_alpha [83.5667]
_cell_angle_beta [78.1070]
_cell_angle_gamma [82.3709]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba(AgTe)2]
_chemical_formula_sum '[Ba2 Ag4 Te4]'
_cell_volume [318.5815]
_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
[
  Ba  Ba0  2  0.2341  0.2390  0.6508  1.0
  Ag  Ag1  2  0.0924  0.1431  0.0767  1.0
  Ag  Ag2  2  0.3774  0.3822  0.2199  1.0
  Te  Te3  2  0.1626  0.7422  0.6322  1.0
  Te  Te4  2  0.3662  0.7530  0.0824  1.0
]