data_[Mg4Sc10Ni4Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.9679]
_cell_length_b [10.9679]
_cell_length_c [3.3857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2Sc5Ni2Au]
_chemical_formula_sum '[Mg4 Sc10 Ni4 Au2]'
_cell_volume [407.2771]
_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  0.1733  0.3267  0.0000  1
  Sc  Sc1  8  0.0723  0.7959  0.5000  1
  Sc  Sc2  2  0.0000  0.5000  0.5000  1
  Ni  Ni3  4  0.1306  0.6306  0.0000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]