data_[Hf16Mn8Cu12N12]
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
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3081]
_cell_length_b [5.3561]
_cell_length_c [13.2635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Mn2(CuN)3]
_chemical_formula_sum '[Hf16 Mn8 Cu12 N12]'
_cell_volume [642.8325]
_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  0.1160  0.0868  0.1023  1
  Hf  Hf1  8  0.2177  0.0834  0.3977  1
  Mn  Mn2  8  0.0570  0.4163  0.9226  1
  Cu  Cu3  8  0.1339  0.4519  0.2511  1
  Cu  Cu4  4  0.0000  0.1476  0.7500  1
  N  N5  8  0.0872  0.2392  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]