data_[Ho24Mg4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7272]
_cell_length_b [10.1509]
_cell_length_c [10.4698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho6MgHg2]
_chemical_formula_sum '[Ho24 Mg4 Hg8]'
_cell_volume [1033.7848]
_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  0.2775  0.3203  1.0
  Ho  Ho1  8  0.1816  0.2725  0.0000  1.0
  Ho  Ho2  8  0.2003  0.0000  0.2481  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.1370  1.0
  Hg  Hg6  4  0.1521  0.5000  0.5000  1.0
]