data_[Mg16Tl8In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7393]
_cell_length_b [11.0432]
_cell_length_c [8.5368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg4Tl2In3]
_chemical_formula_sum '[Mg16 Tl8 In12]'
_cell_volume [903.1009]
_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  0.0482  0.1281  0.0768  1
  Mg  Mg1  8  0.2142  0.3685  0.5843  1
  Tl  Tl2  8  0.1241  0.3737  0.9178  1
  In  In3  8  0.1640  0.1088  0.7390  1
  In  In4  4  0.0000  0.3614  0.2500  1
]