data_[Ho16Cu2Hg4]
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 [C2/m]
_cell_length_a [17.8429]
_cell_length_b [5.1457]
_cell_length_c [6.7925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8CuHg2]
_chemical_formula_sum '[Ho16 Cu2 Hg4]'
_cell_volume [603.7335]
_cell_formula_units_Z [2]
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  0.0231  0.0000  0.7768  1.0
  Ho  Ho1  4  0.0899  0.5000  0.4466  1.0
  Ho  Ho2  4  0.1567  0.5000  0.9673  1.0
  Ho  Ho3  4  0.2008  0.0000  0.3102  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1884  0.0000  0.7333  1.0
]