data_[Hg9P3O12F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [11.4937]
_cell_length_b [11.4937]
_cell_length_c [4.1989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Hg3PO4F3]
_chemical_formula_sum '[Hg9 P3 O12 F9]'
_cell_volume [480.3799]
_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
[
  Hg  Hg0  9  0.0746  0.5446  0.2866  1
  P  P1  3  0.0000  0.0000  0.9275  1
  O  O2  9  0.0344  0.8894  0.0399  1
  O  O3  3  0.0000  0.0000  0.5635  1
  F  F4  9  0.1692  0.3874  0.2435  1
]