data_[Ba4Ag8Se8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.1832]
_cell_length_b [16.9509]
_cell_length_c [6.8121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(AgSe)2]
_chemical_formula_sum '[Ba4 Ag8 Se8]'
_cell_volume [592.2400]
_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  0.1788  0.7500  1.0
  Ag  Ag1  8  0.2289  0.4285  0.6473  1.0
  Se  Se2  4  0.0000  0.1965  0.2500  1.0
  Se  Se3  4  0.0000  0.4399  0.2500  1.0
]