data_[Ag2Sn6Pb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5719]
_cell_length_b [4.2461]
_cell_length_c [8.5080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgSn3(PbSe3)2]
_chemical_formula_sum '[Ag2 Sn6 Pb4 Se12]'
_cell_volume [651.5433]
_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  0.0000  0.5000  0.0000  1
  Sn  Sn1  4  0.1660  0.0000  0.8354  1
  Sn  Sn2  2  0.0000  0.5000  0.5000  1
  Pb  Pb3  4  0.1621  0.0000  0.3275  1
  Se  Se4  4  0.0042  0.0000  0.7559  1
  Se  Se5  4  0.1617  0.5000  0.0721  1
  Se  Se6  4  0.1649  0.5000  0.5870  1
]