data_[Zr2Sc2Pa2N6]
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
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7213]
_cell_length_b [3.3143]
_cell_length_c [8.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrScPaN3]
_chemical_formula_sum '[Zr2 Sc2 Pa2 N6]'
_cell_volume [159.2945]
_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
[
  Zr  Zr0  2  0.1320  0.7500  0.6380  1
  Sc  Sc1  2  0.2271  0.2500  0.9513  1
  Pa  Pa2  2  0.3510  0.7500  0.3032  1
  N  N3  2  0.0506  0.2500  0.1584  1
  N  N4  2  0.2703  0.2500  0.5018  1
  N  N5  2  0.4571  0.7500  0.8338  1
]