data_[Nd12Zn2Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2795]
_cell_length_b [5.1698]
_cell_length_c [12.1731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd6ZnAg3]
_chemical_formula_sum '[Nd12 Zn2 Ag6]'
_cell_volume [564.6330]
_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  2  0.1218  0.7500  0.1570  1
  Nd  Nd1  2  0.1231  0.2500  0.6445  1
  Nd  Nd2  2  0.1343  0.7500  0.8832  1
  Nd  Nd3  2  0.2798  0.7500  0.4880  1
  Nd  Nd4  2  0.3388  0.2500  0.2927  1
  Nd  Nd5  2  0.4823  0.2500  0.8917  1
  Zn  Zn6  2  0.0558  0.2500  0.3715  1
  Ag  Ag7  2  0.2232  0.2500  0.0291  1
  Ag  Ag8  2  0.3494  0.7500  0.7431  1
  Ag  Ag9  2  0.4584  0.2500  0.6324  1
]