data_[In2Ag2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [P2_1/m]
_cell_length_a [8.0113]
_cell_length_b [4.2158]
_cell_length_c [10.1321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InAgPbSe3]
_chemical_formula_sum '[In2 Ag2 Pb2 Se6]'
_cell_volume [325.9760]
_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
[
  In  In0  2  0.1728  0.7500  0.6408  1
  Ag  Ag1  2  0.3742  0.2500  0.9255  1
  Pb  Pb2  2  0.2046  0.7500  0.1997  1
  Se  Se3  2  0.0978  0.7500  0.8849  1
  Se  Se4  2  0.1937  0.2500  0.4801  1
  Se  Se5  2  0.4809  0.2500  0.2053  1
]