data_[Ho12Pu3Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1041]
_cell_length_b [8.1041]
_cell_length_c [20.2669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho4PuPbS8]
_chemical_formula_sum '[Ho12 Pu3 Pb3 S24]'
_cell_volume [1152.7400]
_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
[
  Ho  Ho0  9  0.1687  0.3375  0.8329  1
  Ho  Ho1  3  0.0000  0.0000  0.6250  1
  Pu  Pu2  3  0.0000  0.0000  0.0008  1
  Pb  Pb3  3  0.0000  0.0000  0.3752  1
  S  S4  9  0.0327  0.5164  0.7578  1
  S  S5  9  0.1743  0.3486  0.5782  1
  S  S6  3  0.0000  0.0000  0.2349  1
  S  S7  3  0.0000  0.0000  0.7574  1
]