data_[P3Os6Cl3]
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 [R3m]
_cell_length_a [2.8794]
_cell_length_b [2.8794]
_cell_length_c [28.6961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [POs2Cl]
_chemical_formula_sum '[P3 Os6 Cl3]'
_cell_volume [206.0400]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4754  1
  Os  Os1  3  0.0000  0.0000  0.0061  1
  Os  Os2  3  0.0000  0.0000  0.7477  1
  Cl  Cl3  3  0.0000  0.0000  0.2708  1
]