data_[Mg2Tl4Sn2Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.2783]
_cell_length_b [9.8650]
_cell_length_c [7.9095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MgTl2SnTe4]
_chemical_formula_sum '[Mg2 Tl4 Sn2 Te8]'
_cell_volume [610.9480]
_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  0.0000  0.5149  0.5000  1.0
  Tl  Tl1  2  0.0000  0.1019  0.5000  1.0
  Tl  Tl2  2  0.0000  0.8077  0.0000  1.0
  Sn  Sn3  2  0.0000  0.2503  0.0000  1.0
  Te  Te4  4  0.1963  0.3793  0.4173  1.0
  Te  Te5  4  0.2495  0.5912  0.9457  1.0
]