data_[Hf16Mn8P12N12]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7765]
_cell_length_b [5.7033]
_cell_length_c [12.1875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Mn2(PN)3]
_chemical_formula_sum '[Hf16 Mn8 P12 N12]'
_cell_volume [652.9341]
_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  0.1168  0.0980  0.6017  1
  Hf  Hf1  8  0.2237  0.0792  0.8984  1
  Mn  Mn2  8  0.0457  0.4135  0.3933  1
  P  P3  8  0.1525  0.4313  0.7514  1
  P  P4  4  0.0000  0.1042  0.2500  1
  N  N5  8  0.0879  0.2343  0.0008  1
  N  N6  4  0.2500  0.2500  0.5000  1
]