data_[Nd4Zn3Pd1]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8364]
_cell_length_b [4.6277]
_cell_length_c [11.4875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4Zn3Pd]
_chemical_formula_sum '[Nd4 Zn3 Pd1]'
_cell_volume [203.9440]
_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  0.1427  1.0
  Nd  Nd1  1  0.0000  0.5000  0.8617  1.0
  Nd  Nd2  1  0.5000  0.0000  0.6512  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3475  1.0
  Zn  Zn4  1  0.0000  0.0000  0.4295  1.0
  Zn  Zn5  1  0.0000  0.5000  0.5675  1.0
  Zn  Zn6  1  0.5000  0.0000  0.9297  1.0
  Pd  Pd7  1  0.5000  0.5000  0.0702  1.0
]