data_[Ag4P8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9026]
_cell_length_b [13.8088]
_cell_length_c [6.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag(PSe3)2]
_chemical_formula_sum '[Ag4 P8 Se24]'
_cell_volume [981.4352]
_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
[
  Ag  Ag0  4  0.0000  0.2206  0.2500  1.0
  P  P1  8  0.2224  0.4233  0.2803  1.0
  Se  Se2  8  0.0899  0.0812  0.6024  1.0
  Se  Se3  8  0.1411  0.2918  0.0866  1.0
  Se  Se4  8  0.1518  0.4340  0.5652  1.0
]