data_[Tb3Dy1Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0781]
_cell_length_b [6.0781]
_cell_length_c [9.7773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3DyMg8]
_chemical_formula_sum '[Tb3 Dy1 Mg8]'
_cell_volume [312.8182]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0644  1.0
  Tb  Tb1  1  0.6667  0.3333  0.5633  1.0
  Tb  Tb2  1  0.6667  0.3333  0.9359  1.0
  Dy  Dy3  1  0.0000  0.0000  0.4365  1.0
  Mg  Mg4  3  0.1623  0.3246  0.7499  1.0
  Mg  Mg5  3  0.5044  0.0089  0.2501  1.0
  Mg  Mg6  1  0.3333  0.6667  0.0000  1.0
  Mg  Mg7  1  0.3333  0.6667  0.5000  1.0
]