data_[Hf1Zr3Te8]
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 [Pmm2]
_cell_length_a [7.8471]
_cell_length_b [18.7505]
_cell_length_c [6.7889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [HfZr3Te8]
_chemical_formula_sum '[Hf1 Zr3 Te8]'
_cell_volume [998.9007]
_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  0.0000  0.0000  0.4998  1
  Zr  Zr1  2  0.2498  0.0000  0.9997  1
  Zr  Zr2  1  0.5000  0.0000  0.4983  1
  Te  Te3  4  0.2482  0.0997  0.6641  1
  Te  Te4  2  0.0000  0.0993  0.1685  1
  Te  Te5  2  0.5000  0.0997  0.1652  1
]