data_[Tb18Ho8Mg22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.4382]
_cell_length_b [22.5207]
_cell_length_c [3.6151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb9Ho4Mg11]
_chemical_formula_sum '[Tb18 Ho8 Mg22]'
_cell_volume [1338.3268]
_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
[
  Tb  Tb0  8  0.1120  0.2664  0.5000  1
  Tb  Tb1  8  0.1143  0.0933  0.5000  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Ho  Ho3  8  0.1652  0.4157  0.5000  1
  Mg  Mg4  8  0.2327  0.1791  0.0000  1
  Mg  Mg5  4  0.0000  0.1785  0.0000  1
  Mg  Mg6  4  0.0000  0.3676  0.0000  1
  Mg  Mg7  4  0.2167  0.0000  0.0000  1
  Mg  Mg8  2  0.0000  0.0000  0.0000  1
]