data_[Er2Hf2Nb2N6]
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
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6024]
_cell_length_b [3.2281]
_cell_length_c [8.3643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErHfNbN3]
_chemical_formula_sum '[Er2 Hf2 Nb2 N6]'
_cell_volume [147.4912]
_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  2  0.3545  0.2500  0.3110  1.0
  Hf  Hf1  2  0.2323  0.7500  0.9501  1.0
  Nb  Nb2  2  0.1225  0.2500  0.6308  1.0
  N  N3  2  0.0409  0.7500  0.1525  1.0
  N  N4  2  0.2657  0.7500  0.5042  1.0
  N  N5  2  0.4455  0.2500  0.8423  1.0
]