data_[Zr2Tl2Fe2Te6]
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
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9652]
_cell_length_b [3.9261]
_cell_length_c [10.9088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrTlFeTe3]
_chemical_formula_sum '[Zr2 Tl2 Fe2 Te6]'
_cell_volume [351.7872]
_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  0.0286  0.7500  0.8181  1
  Tl  Tl1  2  0.4993  0.2500  0.2904  1
  Fe  Fe2  2  0.0194  0.2500  0.5910  1
  Te  Te3  2  0.1789  0.7500  0.1193  1
  Te  Te4  2  0.2002  0.2500  0.4543  1
  Te  Te5  2  0.2673  0.2500  0.8287  1
]