data_[Nd16Y4Mg2]
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/m]
_cell_length_a [16.5009]
_cell_length_b [6.8001]
_cell_length_c [6.8386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Y2Mg]
_chemical_formula_sum '[Nd16 Y4 Mg2]'
_cell_volume [752.5344]
_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  8  0.0801  0.2591  0.3849  1
  Nd  Nd1  4  0.0984  0.5000  0.9206  1
  Nd  Nd2  4  0.2468  0.0000  0.3245  1
  Y  Y3  4  0.1840  0.0000  0.8032  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
]