data_[Mg4In16Sn2]
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/m]
_cell_length_a [19.4994]
_cell_length_b [4.6041]
_cell_length_c [6.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2In8Sn]
_chemical_formula_sum '[Mg4 In16 Sn2]'
_cell_volume [595.6209]
_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  0.1909  0.0000  0.7419  1.0
  In  In1  4  0.0273  0.0000  0.7321  1.0
  In  In2  4  0.1037  0.5000  0.4591  1.0
  In  In3  4  0.1531  0.5000  0.9787  1.0
  In  In4  4  0.2027  0.0000  0.3078  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]