data_[Hf16Mn8In12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5789]
_cell_length_b [5.5304]
_cell_length_c [14.8135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Mn2(InN)3]
_chemical_formula_sum '[Hf16 Mn8 In12 N12]'
_cell_volume [765.6233]
_cell_formula_units_Z [4]
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  0.1094  0.0942  0.5828  1
  Hf  Hf1  8  0.2277  0.0809  0.9172  1
  Mn  Mn2  8  0.0535  0.4173  0.4182  1
  In  In3  8  0.1613  0.4260  0.7516  1
  In  In4  4  0.0000  0.0874  0.2500  1
  N  N5  8  0.0862  0.2415  0.0002  1
  N  N6  4  0.2500  0.2500  0.5000  1
]