data_[Hf16Mn8Sn12N12]
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
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7114]
_cell_length_b [5.6320]
_cell_length_c [14.5237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Mn2(SnN)3]
_chemical_formula_sum '[Hf16 Mn8 Sn12 N12]'
_cell_volume [773.0804]
_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  0.1100  0.1002  0.0832  1
  Hf  Hf1  8  0.2307  0.0781  0.4170  1
  Mn  Mn2  8  0.0505  0.5810  0.4164  1
  Sn  Sn3  8  0.1623  0.4237  0.2525  1
  Sn  Sn4  4  0.0000  0.0864  0.7500  1
  N  N5  8  0.0886  0.2343  0.5004  1
  N  N6  4  0.2500  0.2500  0.0000  1
]