data_[Nd4Zn1Pd3]
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 [3.9050]
_cell_length_b [4.6108]
_cell_length_c [11.1025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4ZnPd3]
_chemical_formula_sum '[Nd4 Zn1 Pd3]'
_cell_volume [199.9028]
_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  0.1403  1.0
  Nd  Nd1  1  0.0000  0.5000  0.8558  1.0
  Nd  Nd2  1  0.5000  0.0000  0.6350  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3669  1.0
  Zn  Zn4  1  0.5000  0.5000  0.0741  1.0
  Pd  Pd5  1  0.0000  0.0000  0.4179  1.0
  Pd  Pd6  1  0.0000  0.5000  0.5849  1.0
  Pd  Pd7  1  0.5000  0.0000  0.9252  1.0
]