data_[Ho16Cu4Hg2]
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 [17.5405]
_cell_length_b [5.0452]
_cell_length_c [6.9252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Cu2Hg]
_chemical_formula_sum '[Ho16 Cu4 Hg2]'
_cell_volume [582.9857]
_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  0.0344  0.0000  0.7724  1.0
  Ho  Ho1  4  0.0946  0.5000  0.4703  1.0
  Ho  Ho2  4  0.1760  0.5000  0.9850  1.0
  Ho  Ho3  4  0.1981  0.0000  0.3286  1.0
  Cu  Cu4  4  0.1824  0.0000  0.7126  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]