# generated using pymatgen
data_LiMgCr3Se2(SO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42248800
_cell_length_b   8.43104972
_cell_length_c   8.95166129
_cell_angle_alpha   62.57120824
_cell_angle_beta   62.50412875
_cell_angle_gamma   60.51101284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCr3Se2(SO6)4
_chemical_formula_sum   'Li1 Mg1 Cr3 Se2 S4 O24'
_cell_volume   467.85517272
_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  0.57665900  0.23791000  0.37175200  1
  Mg  Mg1  1  0.85708000  0.84645100  0.43754600  1
  Cr  Cr2  1  0.64336400  0.64931200  0.06774100  1
  Cr  Cr3  1  0.35471100  0.34923500  0.93548900  1
  Cr  Cr4  1  0.15446200  0.15239700  0.54525900  1
  Se  Se5  1  0.74663400  0.46194300  0.74560900  1
  Se  Se6  1  0.04577000  0.74636600  0.74748500  1
  S  S7  1  0.52897200  0.96393300  0.25245600  1
  S  S8  1  0.96081300  0.25501900  0.25215400  1
  S  S9  1  0.25683700  0.53495000  0.24550100  1
  S  S10  1  0.45935900  0.04164400  0.74920700  1
  O  O11  1  0.88572700  0.69708700  0.94568600  1
  O  O12  1  0.49501800  0.88897500  0.91304800  1
  O  O13  1  0.65805700  0.99792400  0.29578300  1
  O  O14  1  0.34197300  0.97815700  0.39567400  1
  O  O15  1  0.00931000  0.97466100  0.70550900  1
  O  O16  1  0.70207500  0.67033700  0.59321600  1
  O  O17  1  0.69496200  0.47741500  0.94450300  1
  O  O18  1  0.61445000  0.76971300  0.23639300  1
  O  O19  1  0.97658700  0.31749100  0.70340800  1
  O  O20  1  0.26449600  0.60707600  0.76717400  1
  O  O21  1  0.61412300  0.35116100  0.76917800  1
  O  O22  1  0.02636600  0.70516200  0.59521800  1
  O  O23  1  0.98078400  0.28653900  0.39259800  1
  O  O24  1  0.38887800  0.61440300  0.23041000  1
  O  O25  1  0.76060900  0.38572200  0.24005600  1
  O  O26  1  0.05849500  0.65987300  0.29345700  1
  O  O27  1  0.36787200  0.23171300  0.77797200  1
  O  O28  1  0.30777300  0.50394900  0.07761800  1
  O  O29  1  0.29661300  0.34201400  0.38817200  1
  O  O30  1  0.97558000  0.05892100  0.29705100  1
  O  O31  1  0.63937700  0.03829800  0.59882400  1
  O  O32  1  0.32450800  0.01698000  0.70551600  1
  O  O33  1  0.50150000  0.10618800  0.08251400  1
  O  O34  1  0.10130800  0.30768400  0.08042100  1
