data_[K6Y6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3062]
_cell_length_b [5.3062]
_cell_length_c [29.2891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KYPb]
_chemical_formula_sum '[K6 Y6 Pb6]'
_cell_volume [714.1806]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.4047  1
  K  K1  3  0.0000  0.0000  0.8230  1
  Y  Y2  3  0.0000  0.0000  0.2517  1
  Y  Y3  3  0.0000  0.0000  0.6506  1
  Pb  Pb4  3  0.0000  0.0000  0.5463  1
  Pb  Pb5  3  0.0000  0.0000  0.9909  1
]