data_[Er1Sc2Nb1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5821]
_cell_length_b [3.2156]
_cell_length_c [5.6078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErSc2NbN4]
_chemical_formula_sum '[Er1 Sc2 Nb1 N4]'
_cell_volume [95.0755]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Sc  Sc1  1  0.5000  0.0000  0.5000  1
  Sc  Sc2  1  0.5000  0.5000  0.0000  1
  Nb  Nb3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.2513  0.5000  0.2418  1
  N  N5  2  0.2548  0.0000  0.7643  1
]