data_[Na2Tl10Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8139]
_cell_length_b [5.4523]
_cell_length_c [7.5403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl5Te4]
_chemical_formula_sum '[Na2 Tl10 Te8]'
_cell_volume [715.2772]
_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  0.5000  0.0000  1.0
  Tl  Tl1  4  0.1536  0.0000  0.5530  1.0
  Tl  Tl2  4  0.2108  0.0000  0.1007  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0400  0.0000  0.8421  1.0
  Te  Te5  4  0.1629  0.5000  0.3118  1.0
]