data_[Hf2Zr16Te4]
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 [C2/m]
_cell_length_a [8.2390]
_cell_length_b [12.7294]
_cell_length_c [5.3029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(Zr4Te)2]
_chemical_formula_sum '[Hf2 Zr16 Te4]'
_cell_volume [528.1096]
_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  0.0000  0.0000  0.5000  1
  Zr  Zr1  8  0.1960  0.1139  0.1003  1
  Zr  Zr2  4  0.0000  0.2280  0.5000  1
  Zr  Zr3  4  0.1186  0.5000  0.3419  1
  Te  Te4  4  0.0000  0.3132  0.0000  1
]