data_[Er4Hf2Zr6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  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 [5.7102]
_cell_length_b [9.8814]
_cell_length_c [5.7229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2HfZr3N6]
_chemical_formula_sum '[Er4 Hf2 Zr6 N12]'
_cell_volume [304.7967]
_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
[
  Er  Er0  4  0.0000  0.3333  0.0000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Zr  Zr2  4  0.0000  0.1673  0.5000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2447  0.1612  0.2514  1.0
  N  N5  4  0.2376  0.0000  0.7456  1.0
]