data_[P18Os21]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4597]
_cell_length_b [5.4597]
_cell_length_c [23.7436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [P6Os7]
_chemical_formula_sum '[P18 Os21]'
_cell_volume [612.9383]
_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  6  0.0000  0.0000  0.0869  1
  P  P1  6  0.0000  0.0000  0.1830  1
  P  P2  6  0.0000  0.0000  0.3336  1
  Os  Os3  18  0.0006  0.5003  0.0768  1
  Os  Os4  3  -0.0000  -0.0000  0.5000  1
]