data_[Li2Mg2S2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2207]
_cell_length_b [5.4700]
_cell_length_c [7.2080]
_cell_angle_alpha [106.7630]
_cell_angle_beta [107.4807]
_cell_angle_gamma [97.2929]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiMgSO4F]
_chemical_formula_sum '[Li2 Mg2 S2 O8 F2]'
_cell_volume [182.7792]
_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
[
  Li  Li0  1  0.2535  0.6198  0.7146  1.0
  Li  Li1  1  0.7252  0.3593  0.2113  1.0
  Mg  Mg2  1  0.0030  0.9969  0.9995  1.0
  Mg  Mg3  1  0.9970  0.0002  0.4984  1.0
  S  S4  1  0.3314  0.6362  0.2513  1.0
  S  S5  1  0.6693  0.3658  0.7490  1.0
  O  O6  1  0.1281  0.6571  0.3617  1.0
  O  O7  1  0.2697  0.7719  0.0985  1.0
  O  O8  1  0.3159  0.3534  0.1448  1.0
  O  O9  1  0.3834  0.2545  0.5973  1.0
  O  O10  1  0.6166  0.7465  0.4030  1.0
  O  O11  1  0.6828  0.6472  0.8540  1.0
  O  O12  1  0.7295  0.2298  0.9037  1.0
  O  O13  1  0.8728  0.3406  0.6403  1.0
  F  F14  1  0.1079  0.9182  0.7542  1.0
  F  F15  1  0.8918  0.0825  0.2433  1.0
]