data_NaAlPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   6.99
_cell_angle_alpha   105.51
_cell_angle_beta   105.51
_cell_angle_gamma   103.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlPO4F
_chemical_formula_sum   'Na2 Al2 P2 O8 F2'
_cell_volume   170.5
_cell_formula_units_Z   2
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
  Na  Na0  1  0.5  0.6  0.58  1.0
  Na  Na1  1  0.98  0.4  0.73  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.48  0.0  0.15  1.0
  P  P4  1  0.5  0.52  0.58  1.0
  P  P5  1  0.98  0.48  0.73  1.0
  O  O6  1  0.97  0.59  0.91  1.0
  O  O7  1  0.99  0.59  0.54  1.0
  O  O8  1  0.18  0.42  0.78  1.0
  O  O9  1  0.77  0.42  0.67  1.0
  O  O10  1  0.29  0.58  0.52  1.0
  O  O11  1  0.7  0.58  0.63  1.0
  O  O12  1  0.51  0.41  0.39  1.0
  O  O13  1  0.49  0.41  0.76  1.0
  F  F14  1  0.98  0.58  0.73  1.0
  F  F15  1  0.5  0.42  0.58  1.0

data_NaAlPO4F
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   6.99
_cell_angle_alpha   105.51
_cell_angle_beta   105.51
_cell_angle_gamma   103.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlPO4F
_chemical_formula_sum   'Na2 Al2 P2 O8 F2'
_cell_volume   170.5
_cell_formula_units_Z   2
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
  Na  Na0  1  0.5  0.6  0.58  1.0
  Na  Na1  1  0.98  0.4  0.73  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.48  0.0  0.15  1.0
  P  P4  1  0.5  0.52  0.58  1.0
  P  P5  1  0.98  0.48  0.73  1.0
  O  O6  1  0.18  0.42  0.78  1.0
  O  O7  1  0.29  0.58  0.52  1.0
  O  O8  1  0.49  0.41  0.76  1.0
  O  O9  1  0.51  0.41  0.39  1.0
  O  O10  1  0.7  0.58  0.63  1.0
  O  O11  1  0.77  0.42  0.67  1.0
  O  O12  1  0.97  0.59  0.91  1.0
  O  O13  1  0.99  0.59  0.54  1.0
  F  F14  1  0.5  0.42  0.58  1.0
  F  F15  1  0.98  0.58  0.73  1.0

Na Na Al Al P P O O O O O O O O F F