data_[Ho4Er2Hf6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [14.4829]
_cell_length_b [3.2907]
_cell_length_c [6.6487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2ErHf3N6]
_chemical_formula_sum '[Ho4 Er2 Hf6 N12]'
_cell_volume [307.3790]
_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
[
  Ho  Ho0  4  0.1666  0.0000  0.3333  1.0
  Er  Er1  2  0.0000  0.5000  0.0000  1.0
  Hf  Hf2  4  0.1666  0.0000  0.8333  1.0
  Hf  Hf3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0050  0.0000  0.7387  1.0
  N  N5  4  0.1615  0.5000  0.5961  1.0
  N  N6  4  0.1711  0.5000  0.0703  1.0
]