data_[Mg4Zr2Sc10Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.3471]
_cell_length_b [11.3471]
_cell_length_c [3.5388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2ZrSc5Pd2]
_chemical_formula_sum '[Mg4 Zr2 Sc10 Pd4]'
_cell_volume [455.6446]
_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  0.1797  0.3203  0.0000  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  8  0.0621  0.7925  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  4  0.1268  0.6268  0.0000  1
]