data_[Zn9P3O12F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [11.3396]
_cell_length_b [11.3396]
_cell_length_c [4.0146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Zn3PO4F3]
_chemical_formula_sum '[Zn9 P3 O12 F9]'
_cell_volume [447.0677]
_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
[
  Zn  Zn0  9  0.1987  0.4549  0.1485  1
  P  P1  3  0.0000  0.0000  0.0390  1
  O  O2  9  0.1547  0.0872  0.9602  1
  O  O3  3  0.0000  0.0000  0.4332  1
  F  F4  9  0.0574  0.4997  0.0003  1
]