data_[Tb12Mg4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5929]
_cell_length_b [7.1828]
_cell_length_c [10.4733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb3MgIr]
_chemical_formula_sum '[Tb12 Mg4 Ir4]'
_cell_volume [556.3547]
_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  4  0.0759  0.6276  0.8149  1
  Tb  Tb1  4  0.2364  0.5041  0.5794  1
  Tb  Tb2  4  0.3116  0.5116  0.1937  1
  Mg  Mg3  4  0.4446  0.2026  0.4688  1
  Ir  Ir4  4  0.0102  0.2027  0.4559  1
]