data_[Mg8In16Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0767]
_cell_length_b [11.3165]
_cell_length_c [5.5624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2In4Sn3]
_chemical_formula_sum '[Mg8 In16 Sn12]'
_cell_volume [935.9193]
_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  8  0.1061  0.3715  0.8148  1
  In  In1  8  0.0569  0.1273  0.5218  1
  In  In2  8  0.2159  0.3799  0.3769  1
  Sn  Sn3  8  0.1786  0.1299  0.0735  1
  Sn  Sn4  4  0.0000  0.3852  0.2500  1
]