data_[K1In2Pb1I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1606]
_cell_length_b [5.5029]
_cell_length_c [8.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KIn2PbI4]
_chemical_formula_sum '[K1 In2 Pb1 I4]'
_cell_volume [336.7065]
_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
[
  K  K0  1  0.0000  0.0000  0.0000  1
  In  In1  1  0.0000  0.5000  0.5000  1
  In  In2  1  0.5000  0.0000  0.5000  1
  Pb  Pb3  1  0.5000  0.5000  0.0000  1
  I  I4  2  0.2611  0.5000  0.2419  1
  I  I5  2  0.2643  0.0000  0.7615  1
]