data_[Mg4Sc4Zn8]
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
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.6116]
_cell_length_b [10.6372]
_cell_length_c [5.8954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [MgScZn2]
_chemical_formula_sum '[Mg4 Sc4 Zn8]'
_cell_volume [289.1965]
_cell_formula_units_Z [4]
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  0.2500  0.0798  0.2348  1
  Sc  Sc1  4  0.2500  0.3288  0.0113  1
  Zn  Zn2  4  0.2500  0.0815  0.7517  1
  Zn  Zn3  4  0.2500  0.3330  0.5023  1
]