data_[Dy2Sc2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8568]
_cell_length_b [3.3612]
_cell_length_c [6.0228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [DyScN]
_chemical_formula_sum '[Dy2 Sc2 N2]'
_cell_volume [111.4875]
_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
[
  Dy  Dy0  2  0.4977  0.7500  0.7638  1
  Sc  Sc1  2  0.0081  0.2500  0.7848  1
  N  N2  2  0.2307  0.7500  0.9939  1
]