data_[K2In6Pb2]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.8477]
_cell_length_b [6.9310]
_cell_length_c [6.9362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KIn3Pb]
_chemical_formula_sum '[K2 In6 Pb2]'
_cell_volume [329.2042]
_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  0.0000  0.2435  0.5191  1.0
  In  In1  4  0.2490  0.2619  0.0234  1.0
  In  In2  2  0.0000  0.6009  0.1792  1.0
  Pb  Pb3  2  0.0000  0.9011  0.8765  1.0
]