data_[P16Rh16F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.5978]
_cell_length_b [11.6740]
_cell_length_c [6.1439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [PRhF]
_chemical_formula_sum '[P16 Rh16 F16]'
_cell_volume [688.3968]
_cell_formula_units_Z [16]
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  16  0.0569  0.2890  0.9944  1
  Rh  Rh1  16  0.0155  0.3778  0.3202  1
  F  F2  16  0.0047  0.1106  0.3242  1
]