data_[Nd4Mg12Pd8]
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 [C2/m]
_cell_length_a [16.7515]
_cell_length_b [4.1235]
_cell_length_c [8.8967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdMg3Pd2]
_chemical_formula_sum '[Nd4 Mg12 Pd8]'
_cell_volume [528.5857]
_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  4  0.1318  0.0000  0.1707  1
  Mg  Mg1  4  0.0326  0.0000  0.6903  1
  Mg  Mg2  4  0.1353  0.5000  0.4983  1
  Mg  Mg3  4  0.1792  0.5000  0.9008  1
  Pd  Pd4  4  0.0047  0.5000  0.8492  1
  Pd  Pd5  4  0.2085  0.0000  0.7310  1
]