data_[Mg4Sc10Ni4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.9313]
_cell_length_b [10.9313]
_cell_length_c [3.3310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2Sc5Ni2Pd]
_chemical_formula_sum '[Mg4 Sc10 Ni4 Pd2]'
_cell_volume [398.0370]
_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
[
  Mg  Mg0  4  0.1744  0.6744  0.0000  1.0
  Sc  Sc1  8  0.0698  0.2012  0.5000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni3  4  0.1316  0.3684  0.0000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.0000  1.0
]