data_[P1Os1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2972]
_cell_length_b [2.7273]
_cell_length_c [4.5119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [POsN2]
_chemical_formula_sum '[P1 Os1 N2]'
_cell_volume [51.1574]
_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
[
  P  P0  1  0.2355  0.0000  0.9216  1
  Os  Os1  1  0.5035  0.5000  0.6252  1
  N  N2  1  0.3445  0.0000  0.2996  1
  N  N3  1  0.9643  0.5000  0.8308  1
]