data_[Mg4Tl6Sb2Te12]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6176]
_cell_length_b [13.1934]
_cell_length_c [7.9564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Tl3SbTe6]
_chemical_formula_sum '[Mg4 Tl6 Sb2 Te12]'
_cell_volume [759.6236]
_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  0.0000  0.3321  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1645  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2437  0.1702  0.2170  1.0
  Te  Te5  4  0.2295  0.5000  0.2167  1.0
]