data_[Ho16Cu8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5001]
_cell_length_b [14.9417]
_cell_length_c [6.8034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ho4Cu2Hg]
_chemical_formula_sum '[Ho16 Cu8 Hg4]'
_cell_volume [683.0357]
_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  0.0368  0.7507  0.9593  1
  Ho  Ho1  4  0.0637  0.0366  0.7167  1
  Ho  Ho2  4  0.0868  0.4821  0.5842  1
  Ho  Ho3  4  0.3039  0.1778  0.2229  1
  Cu  Cu4  4  0.2216  0.3412  0.9471  1
  Cu  Cu5  4  0.3215  0.0960  0.6187  1
  Hg  Hg6  4  0.3406  0.3637  0.4511  1
]