data_[K2In2Pb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5694]
_cell_length_b [4.3739]
_cell_length_c [11.3547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInPbSe3]
_chemical_formula_sum '[K2 In2 Pb2 Se6]'
_cell_volume [463.5669]
_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
[
  K  K0  2  0.1729  0.2500  0.1566  1.0
  In  In1  2  0.0819  0.2500  0.6243  1.0
  Pb  Pb2  2  0.3666  0.7500  0.8740  1.0
  Se  Se3  2  0.0976  0.2500  0.8477  1.0
  Se  Se4  2  0.1820  0.7500  0.5250  1.0
  Se  Se5  2  0.4185  0.7500  0.1291  1.0
]