data_U(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   26.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U(OF)2
_chemical_formula_sum   'U1 O2 F2'
_cell_volume   414.45
_cell_formula_units_Z   1
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
  U  U0  1  0.33  0.67  0.42  1.0
  O  O1  1  0.33  0.67  0.35  1.0
  O  O2  1  0.33  0.67  0.49  1.0
  F  F3  1  0.0  0.0  0.42  1.0
  F  F4  1  0.67  0.33  0.42  1.0

U O O F F 0 1 o o o 0 2 o o o 0 3 + + o 0 3 o o o 0 3 o + o 0 4 o o o 0 4 o + o 0 4 - o o 3 4 - o o 3 4 - - o 3 4 o o o 
data_U(OF)2
_symmetry_space_group_name_H-M   P6/mmm
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   26.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   191
_chemical_formula_structural   U(OF)2
_chemical_formula_sum   'U1 O2 F2'
_cell_volume   414.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  'x-y, x, z'
  4  '-x+y, -x, -z'
  5  '-y, x-y, z'
  6  'y, -x+y, -z'
  7  '-x, -y, z'
  8  'x, y, -z'
  9  '-x+y, -x, z'
  10  'x-y, x, -z'
  11  'y, -x+y, z'
  12  '-y, x-y, -z'
  13  '-y, -x, -z'
  14  'y, x, z'
  15  '-x, -x+y, -z'
  16  'x, x-y, z'
  17  '-x+y, y, -z'
  18  'x-y, -y, z'
  19  'y, x, -z'
  20  '-y, -x, z'
  21  'x, x-y, -z'
  22  '-x, -x+y, z'
  23  'x-y, -y, -z'
  24  '-x+y, 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
  U  U0  1  0.0  0.0  0.0  1.0
  O  O1  2  0.0  0.0  0.07  1.0
  F  F2  2  0.33  0.67  0.0  1.0
