data_[Nd6Mg8Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4199]
_cell_length_b [8.0030]
_cell_length_c [15.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3(MgAg)4]
_chemical_formula_sum '[Nd6 Mg8 Ag8]'
_cell_volume [537.3772]
_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  0.0000  0.0000  0.1183  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  8  0.0000  0.1916  0.3256  1.0
  Ag  Ag3  4  0.0000  0.3107  0.5000  1.0
  Ag  Ag4  4  0.0000  0.5000  0.2242  1.0
]