data_[Zr1Sc1U2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7377]
_cell_length_b [3.3063]
_cell_length_c [5.8686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZrScU2N4]
_chemical_formula_sum '[Zr1 Sc1 U2 N4]'
_cell_volume [105.2970]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1
  Sc  Sc1  1  0.5000  0.5000  0.0000  1
  U  U2  1  0.0000  0.5000  0.5000  1
  U  U3  1  0.5000  0.0000  0.5000  1
  N  N4  2  0.2485  0.5000  0.2366  1
  N  N5  2  0.2567  0.0000  0.7632  1
]