data_[Nd4Mg12Ag4]
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 [Pnma]
_cell_length_a [9.1327]
_cell_length_b [4.3849]
_cell_length_c [12.3392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdMg3Ag]
_chemical_formula_sum '[Nd4 Mg12 Ag4]'
_cell_volume [494.1350]
_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  0.1648  0.2500  0.0054  1.0
  Mg  Mg1  4  0.0546  0.2500  0.4155  1.0
  Mg  Mg2  4  0.0986  0.7500  0.2266  1.0
  Mg  Mg3  4  0.1481  0.7500  0.7897  1.0
  Ag  Ag4  4  0.1340  0.2500  0.6321  1.0
]