data_[Cr18Pb21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5027]
_cell_length_b [6.5027]
_cell_length_c [28.6414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cr6Pb7]
_chemical_formula_sum '[Cr18 Pb21]'
_cell_volume [1048.8323]
_cell_formula_units_Z [3]
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
[
  Cr  Cr0  6  0.0000  0.0000  0.0547  1
  Cr  Cr1  6  0.0000  0.0000  0.1657  1
  Cr  Cr2  6  0.0000  0.0000  0.3362  1
  Pb  Pb3  18  0.0114  0.5057  0.9216  1
  Pb  Pb4  3  -0.0000  -0.0000  0.5000  1
]