data_[Ho8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.2149]
_cell_length_b [4.4089]
_cell_length_c [11.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ho2Pb3]
_chemical_formula_sum '[Ho8 Pb12]'
_cell_volume [597.1614]
_cell_formula_units_Z [4]
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  4  0.0114  0.7500  0.7412  1.0
  Ho  Ho1  4  0.2239  0.7500  0.0810  1.0
  Pb  Pb2  4  0.0777  0.2500  0.9389  1.0
  Pb  Pb3  4  0.0975  0.7500  0.4453  1.0
  Pb  Pb4  4  0.2396  0.2500  0.2918  1.0
]