data_[Nd4Y12Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.7074]
_cell_length_b [10.7074]
_cell_length_c [5.0346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Nd2Y6Mg]
_chemical_formula_sum '[Nd4 Y12 Mg2]'
_cell_volume [577.2134]
_cell_formula_units_Z [2]
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  4  0.1650  0.8350  0.5000  1.0
  Y  Y1  8  0.0005  0.6674  0.0000  1.0
  Y  Y2  4  0.1656  0.1656  0.5000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
]