data_H3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.59
_cell_length_c   5.26
_cell_angle_alpha   72.88
_cell_angle_beta   72.83
_cell_angle_gamma   72.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H3F2
_chemical_formula_sum   'H6 F4'
_cell_volume   96.78
_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
  H  H0  1  0.26  0.65  0.99  1.0
  H  H1  1  0.95  0.83  0.27  1.0
  H  H2  1  0.93  0.6  0.19  1.0
  H  H3  1  0.27  0.8  0.82  1.0
  H  H4  1  0.34  0.9  0.6  1.0
  H  H5  1  0.59  0.87  0.88  1.0
  F  F6  1  0.46  0.5  0.55  1.0
  F  F7  1  0.37  0.63  0.65  1.0
  F  F8  1  0.46  0.81  0.19  1.0
  F  F9  1  0.73  0.9  0.33  1.0

data_H3F2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.59
_cell_length_c   5.26
_cell_angle_alpha   72.88
_cell_angle_beta   72.83
_cell_angle_gamma   72.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H3F2
_chemical_formula_sum   'H6 F4'
_cell_volume   96.78
_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
  H  H0  1  0.26  0.65  0.99  1.0
  H  H1  1  0.27  0.8  0.82  1.0
  H  H2  1  0.34  0.9  0.6  1.0
  H  H3  1  0.59  0.87  0.88  1.0
  H  H4  1  0.93  0.6  0.19  1.0
  H  H5  1  0.95  0.83  0.27  1.0
  F  F6  1  0.37  0.63  0.65  1.0
  F  F7  1  0.46  0.81  0.19  1.0
  F  F8  1  0.46  0.5  0.55  1.0
  F  F9  1  0.73  0.9  0.33  1.0

H H H H H H F F F F