data_[Hf24In10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.6524]
_cell_length_b [8.1106]
_cell_length_c [14.6606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf12In5N2]
_chemical_formula_sum '[Hf24 In10 N4]'
_cell_volume [791.0159]
_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  0.2170  0.0000  0.6343  1
  Hf  Hf1  8  0.2448  0.5000  0.6448  1
  Hf  Hf2  4  0.0000  0.1749  0.0000  1
  Hf  Hf3  4  0.0000  0.2803  0.5000  1
  In  In4  8  0.0000  0.2565  0.7599  1
  In  In5  2  0.0000  0.5000  0.0000  1
  N  N6  4  0.2348  0.5000  0.5000  1
]