data_[Ba4Er4Ag4Te8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3927]
_cell_length_b [14.9383]
_cell_length_c [10.7606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaErAgTe2S]
_chemical_formula_sum '[Ba4 Er4 Ag4 Te8 S4]'
_cell_volume [706.1035]
_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  0.0000  0.2696  0.7500  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.4779  0.2500  1
  Te  Te3  8  0.0000  0.3591  0.0507  1
  S  S4  4  0.0000  0.0687  0.2500  1
]