data_[Tb12Y4Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.6079]
_cell_length_b [10.6079]
_cell_length_c [4.9877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Tb6Y2Mg]
_chemical_formula_sum '[Tb12 Y4 Mg2]'
_cell_volume [561.2532]
_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  0.0014  0.3348  0.0000  1.0
  Tb  Tb1  4  0.1679  0.1679  0.5000  1.0
  Y  Y2  4  0.1640  0.8360  0.5000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
]