data_[P2Os1Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8120]
_cell_length_b [7.1523]
_cell_length_c [12.1664]
_cell_angle_alpha [75.5778]
_cell_angle_beta [89.5287]
_cell_angle_gamma [62.9515]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [P2OsCl12]
_chemical_formula_sum '[P2 Os1 Cl12]'
_cell_volume [507.4885]
_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  2  0.2656  0.5328  0.7162  1.0
  Os  Os1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0012  0.2116  0.8230  1.0
  Cl  Cl3  2  0.0061  0.2913  0.4070  1.0
  Cl  Cl4  2  0.0564  0.2272  0.0856  1.0
  Cl  Cl5  2  0.3781  0.7886  0.0122  1.0
  Cl  Cl6  2  0.4157  0.7303  0.6867  1.0
  Cl  Cl7  2  0.4676  0.2882  0.6455  1.0
]