data_[Hf2Zr2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2859]
_cell_length_b [3.9758]
_cell_length_c [10.1502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfZrTe3]
_chemical_formula_sum '[Hf2 Zr2 Te6]'
_cell_volume [284.4553]
_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
[
  Hf  Hf0  2  0.2876  0.2500  0.9936  1
  Zr  Zr1  2  0.1257  0.2500  0.6517  1
  Te  Te2  2  0.0169  0.7500  0.8417  1
  Te  Te3  2  0.2661  0.7500  0.4942  1
  Te  Te4  2  0.4733  0.7500  0.1885  1
]