data_[Nd16Y4Mg4]
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 [Cmc2_1]
_cell_length_a [5.6731]
_cell_length_b [12.2716]
_cell_length_c [11.4107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd4YMg]
_chemical_formula_sum '[Nd16 Y4 Mg4]'
_cell_volume [794.3853]
_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  0.0000  0.0219  0.8063  1.0
  Nd  Nd1  4  0.0000  0.1765  0.5225  1.0
  Nd  Nd2  4  0.0000  0.3165  0.8040  1.0
  Nd  Nd3  4  0.0000  0.4972  0.5524  1.0
  Y  Y4  4  0.0000  0.1774  0.0812  1.0
  Mg  Mg5  4  0.0000  0.3454  0.3003  1.0
]