data_[Y2Hf4Sc6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1267]
_cell_length_b [3.2409]
_cell_length_c [6.4995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YHf2Sc3N6]
_chemical_formula_sum '[Y2 Hf4 Sc6 N12]'
_cell_volume [290.0376]
_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
[
  Y  Y0  2  0.0000  0.5000  0.0000  1.0
  Hf  Hf1  4  0.1672  0.0000  0.3346  1.0
  Sc  Sc2  4  0.1672  0.0000  0.8331  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0040  0.0000  0.2655  1.0
  N  N5  4  0.1689  0.5000  0.5796  1.0
  N  N6  4  0.1720  0.5000  0.0943  1.0
]