data_[Ag1Pb1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [3.8639]
_cell_length_b [19.8155]
_cell_length_c [8.8155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [AgPbI3]
_chemical_formula_sum '[Ag1 Pb1 I3]'
_cell_volume [674.7730]
_cell_formula_units_Z [1]
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  1  0.0000  0.5125  0.5000  1
  Pb  Pb1  1  0.5000  0.3832  0.5000  1
  I  I2  2  0.4841  0.4912  0.7457  1
  I  I3  1  0.0000  0.6262  0.0000  1
]