data_[Nd4Mg6Pd4]
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 [10.4384]
_cell_length_b [4.3840]
_cell_length_c [7.7160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Mg3Pd2]
_chemical_formula_sum '[Nd4 Mg6 Pd4]'
_cell_volume [324.8744]
_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  4  0.1421  0.0000  0.7823  1
  Mg  Mg1  4  0.1343  0.5000  0.4397  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Pd  Pd3  4  0.1452  0.0000  0.2028  1
]