# generated using pymatgen
data_LiMgCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31506400
_cell_length_b   8.32632149
_cell_length_c   8.87946798
_cell_angle_alpha   62.17905802
_cell_angle_beta   62.34175184
_cell_angle_gamma   60.40044143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCr3(SO4)6
_chemical_formula_sum   'Li1 Mg1 Cr3 S6 O24'
_cell_volume   450.39256091
_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  0.76287400  0.42380700  0.62866500  1
  Mg  Mg1  1  0.16161400  0.14232200  0.54990200  1
  Cr  Cr2  1  0.35266200  0.35012700  0.93938100  1
  Cr  Cr3  1  0.64299400  0.64481500  0.06904500  1
  Cr  Cr4  1  0.85116700  0.85301600  0.44884500  1
  S  S5  1  0.03649200  0.46859700  0.74939700  1
  S  S6  1  0.53977100  0.25357900  0.25030100  1
  S  S7  1  0.25430400  0.95494300  0.25076600  1
  S  S8  1  0.74821700  0.03754400  0.74924300  1
  S  S9  1  0.46401400  0.74369600  0.75313200  1
  S  S10  1  0.95620200  0.54286500  0.25036300  1
  O  O11  1  0.30152500  0.10421000  0.07609900  1
  O  O12  1  0.10775200  0.50770200  0.08345900  1
  O  O13  1  0.00435200  0.33945400  0.70268800  1
  O  O14  1  0.02432400  0.65872500  0.60442100  1
  O  O15  1  0.35234700  0.28271200  0.38993600  1
  O  O16  1  0.04891900  0.98252500  0.29090200  1
  O  O17  1  0.51746500  0.29992300  0.07534800  1
  O  O18  1  0.23281300  0.37871600  0.76897700  1
  O  O19  1  0.67646300  0.04923600  0.29303400  1
  O  O20  1  0.38156800  0.75961400  0.22883700  1
  O  O21  1  0.63007100  0.38235900  0.22797100  1
  O  O22  1  0.28297600  0.97328700  0.39153600  1
  O  O23  1  0.71388600  0.02413000  0.60557700  1
  O  O24  1  0.38609400  0.60780100  0.76885400  1
  O  O25  1  0.61723300  0.23918600  0.76528300  1
  O  O26  1  0.33690500  0.94422800  0.70487100  1
  O  O27  1  0.76108900  0.63104600  0.22764800  1
  O  O28  1  0.49295200  0.69094400  0.92367100  1
  O  O29  1  0.94766200  0.01936700  0.70451200  1
  O  O30  1  0.65953500  0.70681600  0.60786800  1
  O  O31  1  0.96330200  0.36019500  0.40262000  1
  O  O32  1  0.98310800  0.68145400  0.28926000  1
  O  O33  1  0.89066200  0.49589000  0.92102700  1
  O  O34  1  0.69088300  0.89616700  0.92215700  1
