data_[Zr2Tl2Ni2Te6]
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 [P2_1/m]
_cell_length_a [9.6440]
_cell_length_b [3.9740]
_cell_length_c [10.1969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrTlNiTe3]
_chemical_formula_sum '[Zr2 Tl2 Ni2 Te6]'
_cell_volume [356.9613]
_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  0.2969  0.7500  0.8262  1.0
  Tl  Tl1  2  0.2335  0.2500  0.2447  1.0
  Ni  Ni2  2  0.0901  0.2500  0.6045  1.0
  Te  Te3  2  0.0948  0.2500  0.8598  1.0
  Te  Te4  2  0.2018  0.7500  0.5207  1.0
  Te  Te5  2  0.4653  0.7500  0.1499  1.0
]