data_[Cs4Fe4Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9767]
_cell_length_b [7.4150]
_cell_length_c [6.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsFeAgSe3]
_chemical_formula_sum '[Cs4 Fe4 Ag4 Se12]'
_cell_volume [761.1065]
_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  0.1590  0.5000  0.2553  1.0
  Fe  Fe1  4  0.0619  0.0000  0.8681  1.0
  Ag  Ag2  4  0.0000  0.1986  0.5000  1.0
  Se  Se3  8  0.1309  0.2593  0.7781  1.0
  Se  Se4  4  0.0975  0.0000  0.2053  1.0
]