data_[Zr4Tl4Cu4Te12]
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 [Pnma]
_cell_length_a [11.0230]
_cell_length_b [4.0986]
_cell_length_c [15.3331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrTlCuTe3]
_chemical_formula_sum '[Zr4 Tl4 Cu4 Te12]'
_cell_volume [692.7388]
_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  0.0363  0.2500  0.7478  1
  Tl  Tl1  4  0.2267  0.7500  0.0034  1
  Cu  Cu2  4  0.2494  0.7500  0.7141  1
  Te  Te3  4  0.0419  0.2500  0.1256  1
  Te  Te4  4  0.0630  0.7500  0.6120  1
  Te  Te5  4  0.2271  0.7500  0.3204  1
]