data_[Nd9Dy3Mg24]
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 [R3m]
_cell_length_a [6.1009]
_cell_length_b [6.1009]
_cell_length_c [29.9816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3DyMg8]
_chemical_formula_sum '[Nd9 Dy3 Mg24]'
_cell_volume [966.4345]
_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  3  0.0000  0.0000  0.0006  1.0
  Nd  Nd1  3  0.0000  0.0000  0.4996  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6249  1.0
  Dy  Dy3  3  0.0000  0.0000  0.1250  1.0
  Mg  Mg4  9  0.0009  0.5004  0.0631  1.0
  Mg  Mg5  9  0.1672  0.3344  0.8952  1.0
  Mg  Mg6  3  0.0000  0.0000  0.3125  1.0
  Mg  Mg7  3  0.0000  0.0000  0.8126  1.0
]