data_[Mg4Tl8In4Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.5841]
_cell_length_b [16.2199]
_cell_length_c [6.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [MgTl2InSn2]
_chemical_formula_sum '[Mg4 Tl8 In4 Sn8]'
_cell_volume [713.4264]
_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  4  0.0000  0.5000  0.2500  1.0
  Tl  Tl1  8  0.2400  0.1786  0.0000  1.0
  In  In2  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn3  8  0.2407  0.3782  0.0000  1.0
]