data_[Nd20Dy12Mg4]
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 [C2/m]
_cell_length_a [14.8270]
_cell_length_b [11.7843]
_cell_length_c [9.1514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Dy3Mg]
_chemical_formula_sum '[Nd20 Dy12 Mg4]'
_cell_volume [1352.9064]
_cell_formula_units_Z [4]
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  8  0.1693  0.2367  0.6990  1
  Nd  Nd1  4  0.0000  0.2560  0.0000  1
  Nd  Nd2  4  0.0506  0.5000  0.3495  1
  Nd  Nd3  4  0.1863  0.0000  0.4347  1
  Dy  Dy4  4  0.1407  0.5000  0.0853  1
  Dy  Dy5  4  0.2018  0.5000  0.7793  1
  Dy  Dy6  2  0.0000  0.0000  0.0000  1
  Dy  Dy7  2  0.0000  0.0000  0.5000  1
  Mg  Mg8  4  0.1338  0.0000  0.8601  1
]