data_[Mg4Sc8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6414]
_cell_length_b [16.1366]
_cell_length_c [6.4047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(ScSn)2]
_chemical_formula_sum '[Mg4 Sc8 Sn8]'
_cell_volume [479.6824]
_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  0.0000  0.3911  0.4584  1.0
  Sc  Sc1  4  0.0000  0.0114  0.2579  1.0
  Sc  Sc2  4  0.0000  0.1895  0.5678  1.0
  Sn  Sn3  4  0.0000  0.1916  0.0717  1.0
  Sn  Sn4  4  0.0000  0.4295  0.0099  1.0
]