data_[Al2Ag2Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2218]
_cell_length_b [11.2613]
_cell_length_c [6.4232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AlAg(PbSe2)2]
_chemical_formula_sum '[Al2 Ag2 Pb4 Se8]'
_cell_volume [478.4465]
_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
[
  Al  Al0  2  0.0000  0.7411  0.0000  1.0
  Ag  Ag1  2  0.0000  0.9823  0.5000  1.0
  Pb  Pb2  2  0.0000  0.1954  0.0000  1.0
  Pb  Pb3  2  0.0000  0.4650  0.5000  1.0
  Se  Se4  4  0.2129  0.6362  0.4104  1.0
  Se  Se5  4  0.2148  0.8675  0.9530  1.0
]