data_[Mg8In16]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4399]
_cell_length_b [6.4412]
_cell_length_c [14.6134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgIn2]
_chemical_formula_sum '[Mg8 In16]'
_cell_volume [596.9690]
_cell_formula_units_Z [8]
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  0.0817  0.3768  0.4140  1.0
  In  In1  8  0.0869  0.1276  0.9202  1.0
  In  In2  8  0.2467  0.3715  0.7509  1.0
]