data_[Hf2Mg4Zr6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5682]
_cell_length_b [9.6348]
_cell_length_c [5.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfMg2Zr3N6]
_chemical_formula_sum '[Hf2 Mg4 Zr6 N12]'
_cell_volume [281.6019]
_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  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  4  0.0000  0.3338  0.0000  1.0
  Zr  Zr2  4  0.0000  0.1696  0.5000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2466  0.1644  0.2464  1.0
  N  N5  4  0.2452  0.0000  0.7509  1.0
]