data_[Tb45Er6Mg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.1314]
_cell_length_b [11.1314]
_cell_length_c [17.1469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb15(ErMg)2]
_chemical_formula_sum '[Tb45 Er6 Mg6]'
_cell_volume [1839.9752]
_cell_formula_units_Z [3]
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  18  0.0000  0.2982  0.0000  1
  Tb  Tb1  18  0.0094  0.5047  0.1412  1
  Tb  Tb2  9  0.0000  0.5000  0.5000  1
  Er  Er3  6  0.0000  0.0000  0.3235  1
  Mg  Mg4  6  0.0000  0.0000  0.0929  1
]