data_[Cs4Ag2As2S8]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9782]
_cell_length_b [7.3490]
_cell_length_c [11.6369]
_cell_angle_alpha [72.3240]
_cell_angle_beta [72.8116]
_cell_angle_gamma [70.3211]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2AgAsS4]
_chemical_formula_sum '[Cs4 Ag2 As2 S8]'
_cell_volume [522.8134]
_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
[
  Cs  Cs0  2  0.2429  0.4727  0.8182  1.0
  Cs  Cs1  2  0.2566  0.2316  0.4033  1.0
  Ag  Ag2  2  0.3722  0.9017  0.9148  1.0
  As  As3  2  0.1354  0.8690  0.2258  1.0
  S  S4  2  0.2116  0.0489  0.7298  1.0
  S  S5  2  0.2378  0.1392  0.1200  1.0
  S  S6  2  0.2484  0.7388  0.3960  1.0
  S  S7  2  0.2573  0.6495  0.1101  1.0
]