data_[Hf16Te4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3430]
_cell_length_b [6.3299]
_cell_length_c [7.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Te2N]
_chemical_formula_sum '[Hf16 Te4 N2]'
_cell_volume [505.7167]
_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  8  0.1031  0.2629  0.1826  1
  Hf  Hf1  4  0.1237  0.5000  0.7868  1
  Hf  Hf2  4  0.1505  0.0000  0.8786  1
  Te  Te3  4  0.1884  0.0000  0.5220  1
  N  N4  2  0.0000  0.0000  0.0000  1
]