data_[Hf8Mg4Zr4N16]
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 [Imma]
_cell_length_a [6.4060]
_cell_length_b [6.4176]
_cell_length_c [9.0603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Hf2MgZrN4]
_chemical_formula_sum '[Hf8 Mg4 Zr4 N16]'
_cell_volume [372.4793]
_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  4  0.0000  0.0000  0.5000  1
  Hf  Hf1  4  0.2500  0.2500  0.2500  1
  Mg  Mg2  4  0.0000  0.0000  0.0000  1
  Zr  Zr3  4  0.2500  0.2500  0.7500  1
  N  N4  8  0.0000  0.0075  0.2497  1
  N  N5  8  0.2456  0.2500  0.4969  1
]