data_[Ho8Mg32]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [10.0914]
_cell_length_b [10.0914]
_cell_length_c [10.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [HoMg4]
_chemical_formula_sum '[Ho8 Mg32]'
_cell_volume [1027.6689]
_cell_formula_units_Z [8]
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  0.2118  0.2118  0.2118  1
  Mg  Mg1  12  0.0000  0.0000  0.3485  1
  Mg  Mg2  12  0.0000  0.2500  0.5000  1
  Mg  Mg3  8  0.1060  0.1060  0.8940  1
]