data_[Mg12Tl10Sn2]
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 [C2/m]
_cell_length_a [17.3138]
_cell_length_b [5.2236]
_cell_length_c [7.1776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg6Tl5Sn]
_chemical_formula_sum '[Mg12 Tl10 Sn2]'
_cell_volume [595.7948]
_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  0.0002  0.5000  0.2469  1
  Mg  Mg1  4  0.1629  0.0000  0.9152  1
  Mg  Mg2  4  0.1639  0.0000  0.4107  1
  Tl  Tl3  4  0.1669  0.5000  0.6674  1
  Tl  Tl4  4  0.1701  0.5000  0.1707  1
  Tl  Tl5  2  0.0000  0.0000  0.5000  1
  Sn  Sn6  2  0.0000  0.0000  0.0000  1
]