data_[Zr4Tl8In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [Cmc2_1]
_cell_length_a [4.1240]
_cell_length_b [20.2053]
_cell_length_c [15.0608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ZrTl2InTe5]
_chemical_formula_sum '[Zr4 Tl8 In4 Te20]'
_cell_volume [1254.9706]
_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
[
  Zr  Zr0  4  0.0000  0.2124  0.0335  1
  Tl  Tl1  4  0.0000  0.1161  0.6650  1
  Tl  Tl2  4  0.0000  0.1272  0.3236  1
  In  In3  4  0.0000  0.4368  0.4243  1
  Te  Te4  4  0.0000  0.0583  0.0523  1
  Te  Te5  4  0.0000  0.2839  0.6682  1
  Te  Te6  4  0.0000  0.2972  0.3904  1
  Te  Te7  4  0.0000  0.3505  0.0018  1
  Te  Te8  4  0.0000  0.4954  0.7648  1
]