data_[P2Os1Se1]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8894]
_cell_length_b [2.9541]
_cell_length_c [5.0689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [P2OsSe]
_chemical_formula_sum '[P2 Os1 Se1]'
_cell_volume [65.1643]
_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  0.3222  0.5000  0.2249  1
  P  P1  1  0.7181  0.5000  0.0693  1
  Os  Os2  1  0.5208  0.0000  0.6461  1
  Se  Se3  1  0.9957  0.0000  0.5927  1
]