data_[Mg12Tl12Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [9.1745]
_cell_length_b [13.7480]
_cell_length_c [7.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [MgTlSn]
_chemical_formula_sum '[Mg12 Tl12 Sn12]'
_cell_volume [986.4331]
_cell_formula_units_Z [12]
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  0.0190  0.1258  0.6298  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0085  1.0
  Tl  Tl2  4  0.2500  0.1954  0.9557  1.0
  Tl  Tl3  4  0.2500  0.5066  0.8396  1.0
  Tl  Tl4  4  0.2500  0.7187  0.4793  1.0
  Sn  Sn5  8  0.0117  0.1671  0.2573  1.0
  Sn  Sn6  4  0.2500  0.5163  0.2547  1.0
]