data_[Ag4As4Pb8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7598]
_cell_length_b [8.3232]
_cell_length_c [8.4181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AgAs(PbSe2)2]
_chemical_formula_sum '[Ag4 As4 Pb8 Se16]'
_cell_volume [873.4379]
_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  0.2707  0.2548  0.0220  1.0
  As  As1  2  0.0245  0.0000  0.5654  1.0
  As  As2  2  0.0251  0.0000  0.0543  1.0
  Pb  Pb3  4  0.2505  0.2583  0.5023  1.0
  Pb  Pb4  2  0.0085  0.5000  0.5096  1.0
  Pb  Pb5  2  0.0183  0.5000  0.0162  1.0
  Se  Se6  4  0.4920  0.2712  0.7241  1.0
  Se  Se7  4  0.4927  0.2686  0.2193  1.0
  Se  Se8  2  0.2177  0.0000  0.1961  1.0
  Se  Se9  2  0.2205  0.0000  0.7535  1.0
  Se  Se10  2  0.2317  0.5000  0.7464  1.0
  Se  Se11  2  0.2429  0.5000  0.2231  1.0
]