data_[P1H1Os1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.0868]
_cell_length_b [3.8663]
_cell_length_c [4.9528]
_cell_angle_alpha [67.3866]
_cell_angle_beta [71.8870]
_cell_angle_gamma [66.9336]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PHOsN]
_chemical_formula_sum '[P1 H1 Os1 N1]'
_cell_volume [49.3018]
_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  0.3615  0.4500  0.2429  1
  Os  Os1  1  0.5931  0.7666  0.4664  1
  H  H2  1  0.7008  0.9546  0.0955  1
  N  N3  1  0.4702  0.5887  0.8817  1
]