data_[Nd12Y4Ag4]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6486]
_cell_length_b [8.6137]
_cell_length_c [7.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3YAg]
_chemical_formula_sum '[Nd12 Y4 Ag4]'
_cell_volume [679.0515]
_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  8  0.1811  0.2070  0.1946  1
  Nd  Nd1  4  0.0487  0.5000  0.8062  1
  Y  Y2  4  0.0760  0.0000  0.7619  1
  Ag  Ag3  4  0.2292  0.0000  0.5523  1
]