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/m]
_cell_length_a [5.6237]
_cell_length_b [3.6162]
_cell_length_c [7.3272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrOsN3]
_chemical_formula_sum '[Pr2 Os2 N6]'
_cell_volume [140.5404]
_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  0.3237  0.0000  0.1863  1.0
  Os  Os1  2  0.1708  0.5000  0.7985  1.0
  N  N2  2  0.2012  0.5000  0.3949  1.0
  N  N3  2  0.2626  0.5000  0.5763  1.0
  N  N4  1  0.0000  0.5000  0.0000  1.0
  N  N5  1  0.5000  0.5000  0.0000  1.0
]