data_[Na2Tl4In4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9793]
_cell_length_b [4.9852]
_cell_length_c [8.0595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl2(InTe2)2]
_chemical_formula_sum '[Na2 Tl4 In4 Te8]'
_cell_volume [656.1990]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1162  0.0000  0.5617  1.0
  In  In2  4  0.1676  0.5000  0.0071  1.0
  Te  Te3  4  0.0203  0.5000  0.7391  1.0
  Te  Te4  4  0.2099  0.0000  0.2021  1.0
]