data_[K3Rb1Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.8317]
_cell_length_b [6.8317]
_cell_length_c [10.7991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [K3RbPb8]
_chemical_formula_sum '[K3 Rb1 Pb8]'
_cell_volume [436.4924]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5643  1
  K  K1  1  0.0000  0.0000  0.9358  1
  K  K2  1  0.6667  0.3333  0.0650  1
  K  K3  1  0.6667  0.3333  0.4338  1
  Pb  Pb4  3  0.1665  0.3330  0.2484  1
  Pb  Pb5  3  0.5012  0.0025  0.7517  1
  Pb  Pb6  1  0.3333  0.6667  0.0010  1
  Pb  Pb7  1  0.3333  0.6667  0.5000  1
]