data_[Tb12Ho24Mg4]
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 [Cmc2_1]
_cell_length_a [9.3154]
_cell_length_b [14.7720]
_cell_length_c [8.9865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3Ho6Mg]
_chemical_formula_sum '[Tb12 Ho24 Mg4]'
_cell_volume [1236.6053]
_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
[
  Tb  Tb0  8  0.1761  0.1439  0.4380  1
  Tb  Tb1  4  0.0000  0.4644  0.9241  1
  Ho  Ho2  8  0.1762  0.3468  0.2687  1
  Ho  Ho3  8  0.2173  0.0690  0.1011  1
  Ho  Ho4  4  0.0000  0.0636  0.7852  1
  Ho  Ho5  4  0.0000  0.2954  0.6529  1
  Mg  Mg6  4  0.0000  0.2377  0.0077  1
]