# generated using pymatgen
data_Li2MgCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39188200
_cell_length_b   8.45293946
_cell_length_c   8.96089620
_cell_angle_alpha   62.40835361
_cell_angle_beta   63.20777093
_cell_angle_gamma   60.40190752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCr3(SO4)6
_chemical_formula_sum   'Li2 Mg1 Cr3 S6 O24'
_cell_volume   469.08222799
_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  0.18214500  0.76455600  0.62624900  1
  Li  Li1  1  0.76199200  0.42845800  0.62381000  1
  Mg  Mg2  1  0.16340300  0.15691200  0.53911200  1
  Cr  Cr3  1  0.84616400  0.85273700  0.45086900  1
  Cr  Cr4  1  0.64128300  0.64638600  0.06847100  1
  Cr  Cr5  1  0.35750100  0.34437700  0.93993100  1
  S  S6  1  0.03334300  0.46681000  0.75181500  1
  S  S7  1  0.54317600  0.25556200  0.24922400  1
  S  S8  1  0.25077100  0.94646000  0.25384000  1
  S  S9  1  0.75920900  0.03244900  0.74394600  1
  S  S10  1  0.46267900  0.75466600  0.74599500  1
  S  S11  1  0.94932200  0.54743500  0.25284300  1
  O  O12  1  0.00255600  0.34573700  0.69736400  1
  O  O13  1  0.02272000  0.65916900  0.60876300  1
  O  O14  1  0.35868300  0.28162400  0.38731300  1
  O  O15  1  0.04915000  0.96846000  0.29519600  1
  O  O16  1  0.49120900  0.69545800  0.91765200  1
  O  O17  1  0.22726900  0.38215200  0.76939100  1
  O  O18  1  0.67855600  0.05335300  0.29499400  1
  O  O19  1  0.38256200  0.75283900  0.23403400  1
  O  O20  1  0.29388400  0.09587800  0.09172600  1
  O  O21  1  0.09702200  0.51699500  0.09150600  1
  O  O22  1  0.62911700  0.38551400  0.22893600  1
  O  O23  1  0.27196800  0.95791100  0.40566300  1
  O  O24  1  0.72125100  0.01941700  0.60292700  1
  O  O25  1  0.37981500  0.62908900  0.75410000  1
  O  O26  1  0.88684700  0.49680800  0.91744400  1
  O  O27  1  0.69773100  0.89554300  0.91548800  1
  O  O28  1  0.64592100  0.23082000  0.75230400  1
  O  O29  1  0.33919900  0.95496000  0.69731500  1
  O  O30  1  0.75279300  0.63023400  0.23334600  1
  O  O31  1  0.52150700  0.29823300  0.07832100  1
  O  O32  1  0.96586100  0.99562300  0.70030700  1
  O  O33  1  0.65683700  0.71305700  0.60792100  1
  O  O34  1  0.96099100  0.36535400  0.40417300  1
  O  O35  1  0.96896300  0.68416000  0.29891300  1
