# generated using pymatgen
data_LiMgSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30910600
_cell_length_b   6.40285192
_cell_length_c   6.98828237
_cell_angle_alpha   108.42917219
_cell_angle_beta   106.68849198
_cell_angle_gamma   101.62983530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgSO4F
_chemical_formula_sum   'Li2 Mg2 S2 O8 F2'
_cell_volume   204.40217198
_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  0.25273900  0.68538500  0.83758300  1
  Li  Li1  1  0.74726100  0.31461500  0.16241700  1
  Mg  Mg2  1  0.00000000  0.00000000  0.00000000  1
  Mg  Mg3  1  0.00000000  0.00000000  0.50000000  1
  S  S4  1  0.41688100  0.54592000  0.36128500  1
  S  S5  1  0.58311900  0.45408000  0.63871500  1
  O  O6  1  0.16538100  0.59592600  0.37701100  1
  O  O7  1  0.22689500  0.82389600  0.11433900  1
  O  O8  1  0.35129400  0.26297400  0.60735100  1
  O  O9  1  0.36545700  0.33463700  0.16906400  1
  O  O10  1  0.63454300  0.66536300  0.83093600  1
  O  O11  1  0.64870600  0.73702600  0.39264900  1
  O  O12  1  0.77310500  0.17610400  0.88566100  1
  O  O13  1  0.83461900  0.40407400  0.62298900  1
  F  F14  1  0.13652100  0.92681700  0.75185000  1
  F  F15  1  0.86347900  0.07318300  0.24815000  1
