data_[Na2Er4Hf6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3928]
_cell_length_b [3.2746]
_cell_length_c [6.6777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaEr2Hf3N6]
_chemical_formula_sum '[Na2 Er4 Hf6 N12]'
_cell_volume [304.2152]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Er  Er1  4  0.1628  0.0000  0.3247  1
  Hf  Hf2  4  0.1624  0.0000  0.8347  1
  Hf  Hf3  2  0.0000  0.5000  0.5000  1
  N  N4  4  0.0066  0.0000  0.7239  1
  N  N5  4  0.1632  0.5000  0.5930  1
  N  N6  4  0.1744  0.5000  0.0715  1
]