data_[Mg6Al2In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6912]
_cell_length_b [4.6293]
_cell_length_c [4.6291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3AlIn4]
_chemical_formula_sum '[Mg6 Al2 In8]'
_cell_volume [368.4411]
_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  0.2487  0.0000  0.7486  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Al  Al2  2  0.0000  0.5000  0.0000  1
  In  In3  4  0.1228  0.5000  0.6224  1
  In  In4  4  0.1228  0.0000  0.1231  1
]