data_[Ag2Sb2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6879]
_cell_length_b [4.1258]
_cell_length_c [9.3654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AgSbPbSe3]
_chemical_formula_sum '[Ag2 Sb2 Pb2 Se6]'
_cell_volume [329.6167]
_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
[
  Ag  Ag0  2  0.0767  0.2500  0.5950  1.0
  Sb  Sb1  2  0.3248  0.7500  0.8649  1.0
  Pb  Pb2  2  0.1953  0.2500  0.2665  1.0
  Se  Se3  2  0.1092  0.2500  0.8861  1.0
  Se  Se4  2  0.2522  0.7500  0.5045  1.0
  Se  Se5  2  0.4269  0.7500  0.1554  1.0
]