data_[Nd12Y6Mg2]
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 [P2_1/m]
_cell_length_a [11.3435]
_cell_length_b [5.1291]
_cell_length_c [11.4604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6Y3Mg]
_chemical_formula_sum '[Nd12 Y6 Mg2]'
_cell_volume [666.7307]
_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  2  0.0478  0.7500  0.8963  1
  Nd  Nd1  2  0.1479  0.2500  0.6931  1
  Nd  Nd2  2  0.1503  0.7500  0.1966  1
  Nd  Nd3  2  0.2460  0.7500  0.4982  1
  Nd  Nd4  2  0.3459  0.2500  0.2999  1
  Nd  Nd5  2  0.4485  0.7500  0.1018  1
  Y  Y6  2  0.2488  0.2500  0.9954  1
  Y  Y7  2  0.3502  0.7500  0.7961  1
  Y  Y8  2  0.4505  0.2500  0.5996  1
  Mg  Mg9  2  0.0474  0.2500  0.4034  1
]