data_[Zr2Nb4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  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 [6.6503]
_cell_length_b [11.7123]
_cell_length_c [9.0471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrNb2(TlTe3)2]
_chemical_formula_sum '[Zr2 Nb4 Tl4 Te12]'
_cell_volume [678.6843]
_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  0.5000  1.0
  Nb  Nb1  4  0.0000  0.3056  0.5000  1.0
  Tl  Tl2  4  0.0000  0.1499  0.0000  1.0
  Te  Te3  8  0.2441  0.3346  0.2842  1.0
  Te  Te4  4  0.2094  0.5000  0.6839  1.0
]