data_[Nd2Mg4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1324]
_cell_length_b [4.8188]
_cell_length_c [8.7471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(MgPd)2]
_chemical_formula_sum '[Nd2 Mg4 Pd4]'
_cell_volume [213.0902]
_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  0.1808  0.2500  0.7794  1
  Mg  Mg1  2  0.2851  0.2500  0.1567  1
  Mg  Mg2  2  0.3520  0.7500  0.4881  1
  Pd  Pd3  2  0.1139  0.2500  0.4256  1
  Pd  Pd4  2  0.2787  0.7500  0.9981  1
]