data_[Mg4Sc10Zn2Ni4]
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
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.9384]
_cell_length_b [10.9384]
_cell_length_c [3.3582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2Sc5ZnNi2]
_chemical_formula_sum '[Mg4 Sc10 Zn2 Ni4]'
_cell_volume [401.8011]
_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  0.1757  0.6757  0.0000  1.0
  Sc  Sc1  8  0.0683  0.2032  0.5000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  4  0.1296  0.3704  0.0000  1.0
]