data_[Nd12Dy3Mg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6436]
_cell_length_b [5.6436]
_cell_length_c [26.9336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd4DyMg2]
_chemical_formula_sum '[Nd12 Dy3 Mg6]'
_cell_volume [742.9218]
_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
[
  Nd  Nd0  6  0.0000  0.0000  0.1303  1
  Nd  Nd1  6  0.0000  0.0000  0.2576  1
  Dy  Dy2  3  -0.0000  -0.0000  0.5000  1
  Mg  Mg3  6  0.0000  0.0000  0.3791  1
]