data_[Nd1Mg6Ag4]
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 [P-6m2]
_cell_length_a [7.9601]
_cell_length_b [7.9601]
_cell_length_c [4.3500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nd(Mg3Ag2)2]
_chemical_formula_sum '[Nd1 Mg6 Ag4]'
_cell_volume [238.7022]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  3  0.2001  0.4002  0.5000  1
  Mg  Mg2  3  0.5335  0.0670  0.0000  1
  Ag  Ag3  3  0.4000  0.2000  0.5000  1
  Ag  Ag4  1  0.3333  0.6667  0.0000  1
]