data_[Ba4Ag4Se4S2]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8827]
_cell_length_b [4.3865]
_cell_length_c [7.9505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ag2Se2S]
_chemical_formula_sum '[Ba4 Ag4 Se4 S2]'
_cell_volume [392.5485]
_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  4  0.0604  0.5000  0.3079  1
  Ag  Ag1  4  0.2222  0.0000  0.0958  1
  Se  Se2  4  0.1707  0.0000  0.6855  1
  S  S3  2  0.0000  0.0000  0.0000  1
]