data_[Pr2Os2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8489]
_cell_length_b [4.7364]
_cell_length_c [7.3207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrOsN3]
_chemical_formula_sum '[Pr2 Os2 N6]'
_cell_volume [132.1777]
_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
[
  Pr  Pr0  2  0.0833  0.7500  0.2824  1.0
  Os  Os1  2  0.4815  0.7500  0.9051  1.0
  N  N2  2  0.0155  0.2500  0.0947  1.0
  N  N3  2  0.2923  0.2500  0.4674  1.0
  N  N4  2  0.4652  0.7500  0.6272  1.0
]