data_[Ho24Cu8Hg4]
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 [Immm]
_cell_length_a [9.4012]
_cell_length_b [9.6909]
_cell_length_c [10.1210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho6Cu2Hg]
_chemical_formula_sum '[Ho24 Cu8 Hg4]'
_cell_volume [922.0825]
_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  0.0000  0.1954  0.2411  1.0
  Ho  Ho1  8  0.1969  0.5000  0.1768  1.0
  Ho  Ho2  8  0.2173  0.3168  0.5000  1.0
  Cu  Cu3  4  0.0000  0.3539  0.0000  1.0
  Cu  Cu4  4  0.0000  0.5000  0.3795  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
]