data_[Mg4In12Sn2]
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 [14.7524]
_cell_length_b [3.3798]
_cell_length_c [11.0100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2In6Sn]
_chemical_formula_sum '[Mg4 In12 Sn2]'
_cell_volume [476.1973]
_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  0.1358  0.5000  0.2585  1.0
  In  In1  4  0.0394  0.0000  0.7078  1.0
  In  In2  4  0.1591  0.5000  0.5519  1.0
  In  In3  4  0.2412  0.0000  0.1124  1.0
  Sn  Sn4  2  0.0000  0.0000  0.0000  1.0
]