data_[Zr2Tl4Cu4Te8]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3634]
_cell_length_b [4.1501]
_cell_length_c [8.4852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTl2(CuTe2)2]
_chemical_formula_sum '[Zr2 Tl4 Cu4 Te8]'
_cell_volume [511.7192]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1352  0.0000  0.5708  1.0
  Cu  Cu2  4  0.1861  0.5000  0.9903  1.0
  Te  Te3  4  0.0195  0.5000  0.7680  1.0
  Te  Te4  4  0.1987  0.0000  0.1909  1.0
]