data_[Hf1Zr1Te3]
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 [Pm]
_cell_length_a [5.9817]
_cell_length_b [3.9260]
_cell_length_c [7.3002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfZrTe3]
_chemical_formula_sum '[Hf1 Zr1 Te3]'
_cell_volume [157.9973]
_cell_formula_units_Z [1]
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  1  0.1520  0.5000  0.1140  1
  Zr  Zr1  1  0.7018  0.0000  0.8066  1
  Te  Te2  1  0.2154  0.0000  0.8433  1
  Te  Te3  1  0.5389  0.5000  0.4976  1
  Te  Te4  1  0.9020  0.0000  0.2381  1
]