data_[Cs4Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.6454]
_cell_length_b [13.6796]
_cell_length_c [8.0230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsAgSe3]
_chemical_formula_sum '[Cs4 Ag4 Se12]'
_cell_volume [682.2898]
_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
[
  Cs  Cs0  4  0.0000  0.1525  0.2500  1.0
  Ag  Ag1  4  0.0000  0.4453  0.2500  1.0
  Se  Se2  8  0.2172  0.4178  0.0526  1.0
  Se  Se3  4  0.0000  0.1850  0.7500  1.0
]