data_[Mg2Al2Tl2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3116]
_cell_length_b [4.2381]
_cell_length_c [10.7592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgAlTlTe3]
_chemical_formula_sum '[Mg2 Al2 Tl2 Te6]'
_cell_volume [407.9344]
_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  2  0.3495  0.7500  0.9066  1.0
  Al  Al1  2  0.0895  0.2500  0.6279  1.0
  Tl  Tl2  2  0.2290  0.2500  0.2249  1.0
  Te  Te3  2  0.1099  0.2500  0.8705  1.0
  Te  Te4  2  0.1991  0.7500  0.5247  1.0
  Te  Te5  2  0.4799  0.7500  0.1784  1.0
]