data_[Ho12Hg4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3174]
_cell_length_b [6.3543]
_cell_length_c [6.5542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho3HgPb2]
_chemical_formula_sum '[Ho12 Hg4 Pb8]'
_cell_volume [664.0595]
_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  8  0.1674  0.1064  0.5944  1.0
  Ho  Ho1  4  0.0000  0.3665  0.2500  1.0
  Hg  Hg2  4  0.0000  0.1185  0.7500  1.0
  Pb  Pb3  8  0.1620  0.3972  0.0614  1.0
]