data_[Zr2Tl2Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2040]
_cell_length_b [4.0756]
_cell_length_c [8.7747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrTlTe2]
_chemical_formula_sum '[Zr2 Tl2 Te4]'
_cell_volume [248.0107]
_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  0.2866  0.7500  0.5058  1.0
  Tl  Tl1  2  0.2208  0.2500  0.9844  1.0
  Te  Te2  2  0.0213  0.2500  0.3141  1.0
  Te  Te3  2  0.4966  0.2500  0.7280  1.0
]