data_[Ag2Sn2Pb2Se6]
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 [P2_1/m]
_cell_length_a [8.8905]
_cell_length_b [4.0406]
_cell_length_c [9.2701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AgSnPbSe3]
_chemical_formula_sum '[Ag2 Sn2 Pb2 Se6]'
_cell_volume [328.7142]
_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  0.3848  0.7500  0.9570  1.0
  Sn  Sn1  2  0.1293  0.2500  0.6736  1.0
  Pb  Pb2  2  0.2783  0.2500  0.2338  1.0
  Se  Se3  2  0.0871  0.7500  0.8699  1.0
  Se  Se4  2  0.1835  0.7500  0.4502  1.0
  Se  Se5  2  0.4677  0.2500  0.7636  1.0
]