data_[Hf6Cu4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3658]
_cell_length_b [13.3290]
_cell_length_c [3.2077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf3Cu2N]
_chemical_formula_sum '[Hf6 Cu4 N2]'
_cell_volume [186.6587]
_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  4  0.0000  0.1216  0.0000  1.0
  Hf  Hf1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0000  0.2991  0.5000  1.0
  N  N3  2  0.0000  0.0000  0.5000  1.0
]