data_[Ba4Ag4Sn8Se24]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.9612]
_cell_length_b [12.4041]
_cell_length_c [7.2715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaAg(SnSe3)2]
_chemical_formula_sum '[Ba4 Ag4 Sn8 Se24]'
_cell_volume [1240.4206]
_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  0.3040  0.7500  1.0
  Ag  Ag1  4  0.0000  0.1073  0.2500  1.0
  Sn  Sn2  8  0.2277  0.3933  0.3772  1.0
  Se  Se3  8  0.1010  0.0744  0.6240  1.0
  Se  Se4  8  0.1211  0.4826  0.5434  1.0
  Se  Se5  8  0.1599  0.2089  0.2205  1.0
]