data_[Mg2Sc12Zn2]
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 [C2/m]
_cell_length_a [6.1664]
_cell_length_b [10.8667]
_cell_length_c [6.4100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgSc6Zn]
_chemical_formula_sum '[Mg2 Sc12 Zn2]'
_cell_volume [384.1022]
_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  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  8  0.0494  0.2153  0.7559  1
  Sc  Sc2  4  0.0281  0.5000  0.2549  1
  Zn  Zn3  2  0.0000  0.0000  0.5000  1
]