data_[Tl8In4Sn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3873]
_cell_length_b [20.9187]
_cell_length_c [13.7216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2InSnTe5]
_chemical_formula_sum '[Tl8 In4 Sn4 Te20]'
_cell_volume [1259.3201]
_cell_formula_units_Z [4]
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
[
  Tl  Tl0  4  0.0000  0.0859  0.6434  1.0
  Tl  Tl1  4  0.0000  0.1191  0.2985  1.0
  In  In2  4  0.0000  0.4118  0.4344  1.0
  Sn  Sn3  4  0.0000  0.2482  0.0437  1.0
  Te  Te4  4  0.0000  0.0715  0.0601  1.0
  Te  Te5  4  0.0000  0.2441  0.7036  1.0
  Te  Te6  4  0.0000  0.2776  0.3861  1.0
  Te  Te7  4  0.0000  0.3842  0.9854  1.0
  Te  Te8  4  0.0000  0.4877  0.2689  1.0
]