data_[Zr2Tl4Ni4Te8]
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
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4032]
_cell_length_b [3.9448]
_cell_length_c [8.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTl2(NiTe2)2]
_chemical_formula_sum '[Zr2 Tl4 Ni4 Te8]'
_cell_volume [480.8254]
_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  0.1356  0.0000  0.5410  1.0
  Ni  Ni2  4  0.1715  0.5000  0.9874  1.0
  Te  Te3  4  0.0211  0.5000  0.7617  1.0
  Te  Te4  4  0.2043  0.0000  0.1755  1.0
]