data_[Nd2Ag3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6099]
_cell_length_b [4.8599]
_cell_length_c [8.1031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd2Ag3Pd]
_chemical_formula_sum '[Nd2 Ag3 Pd1]'
_cell_volume [142.1613]
_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  0.4847  1.0
  Nd  Nd1  1  0.0000  0.5000  0.0229  1.0
  Ag  Ag2  1  0.5000  0.0000  0.1662  1.0
  Ag  Ag3  1  0.5000  0.0000  0.8281  1.0
  Ag  Ag4  1  0.5000  0.5000  0.6688  1.0
  Pd  Pd5  1  0.5000  0.5000  0.3292  1.0
]