data_[Nd4Y16Mg4]
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 [C2/c]
_cell_length_a [10.6269]
_cell_length_b [6.1774]
_cell_length_c [11.9722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdY4Mg]
_chemical_formula_sum '[Nd4 Y16 Mg4]'
_cell_volume [752.8994]
_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  4  0.2500  0.2500  0.5000  1.0
  Y  Y1  8  0.0816  0.2481  0.0007  1.0
  Y  Y2  8  0.1662  0.4182  0.7504  1.0
  Mg  Mg3  4  0.0000  0.0790  0.2500  1.0
]