data_[Ba4Ag4Te8]
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 [Cm]
_cell_length_a [20.4600]
_cell_length_b [5.0461]
_cell_length_c [19.1505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaAgTe2]
_chemical_formula_sum '[Ba4 Ag4 Te8]'
_cell_volume [1977.1535]
_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  2  0.2284  0.0000  0.4734  1
  Ba  Ba1  2  0.4778  0.0000  0.4664  1
  Ag  Ag2  2  0.0724  0.0000  0.5755  1
  Ag  Ag3  2  0.3522  0.5000  0.4315  1
  Te  Te4  2  0.1298  0.5000  0.5540  1
  Te  Te5  2  0.2851  0.5000  0.5728  1
  Te  Te6  2  0.3504  0.0000  0.3588  1
  Te  Te7  2  0.4329  0.5000  0.5677  1
]