data_Li4Mn3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.43
_cell_length_c   6.19
_cell_angle_alpha   69.9
_cell_angle_beta   86.45
_cell_angle_gamma   79.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3(OF3)2
_chemical_formula_sum   'Li4 Mn3 O2 F6'
_cell_volume   168.54
_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
  Li  Li0  1  0.33  0.63  0.08  1.0
  Li  Li1  1  0.46  0.81  0.74  1.0
  Li  Li2  1  0.79  0.31  0.01  1.0
  Li  Li3  1  1.0  0.13  0.81  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.72  0.75  0.38  1.0
  Mn  Mn6  1  0.07  0.69  0.43  1.0
  O  O7  1  0.67  0.22  0.35  1.0
  O  O8  1  0.12  0.22  0.46  1.0
  F  F9  1  0.01  0.76  0.99  1.0
  F  F10  1  0.78  0.68  0.83  1.0
  F  F11  1  0.45  0.36  0.82  1.0
  F  F12  1  0.34  0.07  0.99  1.0
  F  F13  1  0.29  0.22  0.42  1.0
  F  F14  1  0.5  0.22  0.4  1.0

data_Li4Mn3(OF3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.42
_cell_length_b   5.43
_cell_length_c   6.19
_cell_angle_alpha   69.9
_cell_angle_beta   86.45
_cell_angle_gamma   79.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3(OF3)2
_chemical_formula_sum   'Li4 Mn3 O2 F6'
_cell_volume   168.54
_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
  Li  Li0  1  0.33  0.63  0.08  1.0
  Li  Li1  1  0.46  0.81  0.74  1.0
  Li  Li2  1  0.79  0.31  0.01  1.0
  Li  Li3  1  1.0  0.13  0.81  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.07  0.69  0.43  1.0
  Mn  Mn6  1  0.72  0.75  0.38  1.0
  O  O7  1  0.12  0.22  0.46  1.0
  O  O8  1  0.67  0.22  0.35  1.0
  F  F9  1  0.01  0.76  0.99  1.0
  F  F10  1  0.29  0.22  0.42  1.0
  F  F11  1  0.34  0.07  0.99  1.0
  F  F12  1  0.45  0.36  0.82  1.0
  F  F13  1  0.5  0.22  0.4  1.0
  F  F14  1  0.78  0.68  0.83  1.0

Li Li Li Li Mn Mn Mn O O F F F F F F