# generated using pymatgen
data_Li2MgCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03371459
_cell_length_b   9.05692422
_cell_length_c   8.97672337
_cell_angle_alpha   56.15010644
_cell_angle_beta   55.79668569
_cell_angle_gamma   54.91501017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCr3(SO4)6
_chemical_formula_sum   'Li2 Mg1 Cr3 S6 O24'
_cell_volume   466.42678274
_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  0.18173700  0.42661200  0.76224800  1
  Li  Li1  1  0.76434700  0.17955400  0.42794500  1
  Mg  Mg2  1  0.35500500  0.35449100  0.34761600  1
  Cr  Cr3  1  0.16311700  0.14363400  0.15580900  1
  Cr  Cr4  1  0.64262900  0.64429700  0.64569800  1
  Cr  Cr5  1  0.84718800  0.84799300  0.85517500  1
  S  S6  1  0.03197400  0.74342500  0.47164400  1
  S  S7  1  0.54567700  0.95210400  0.25618000  1
  S  S8  1  0.25251200  0.55222400  0.94708700  1
  S  S9  1  0.75306700  0.46655300  0.03598800  1
  S  S10  1  0.46383800  0.03657700  0.75014600  1
  S  S11  1  0.95295100  0.24670000  0.55044000  1
  O  O12  1  0.99281700  0.94832500  0.35421300  1
  O  O13  1  0.02249800  0.70537700  0.66533600  1
  O  O14  1  0.35853200  0.96470800  0.29019700  1
  O  O15  1  0.04641900  0.68963800  0.97625300  1
  O  O16  1  0.49222500  0.89669700  0.69279500  1
  O  O17  1  0.22652700  0.61511100  0.38782900  1
  O  O18  1  0.67560200  0.97502100  0.05113500  1
  O  O19  1  0.37952900  0.64348500  0.75760700  1
  O  O20  1  0.29666200  0.50763700  0.10397200  1
  O  O21  1  0.10817600  0.28709600  0.51165200  1
  O  O22  1  0.63840300  0.75745100  0.38134300  1
  O  O23  1  0.27909800  0.37780400  0.93973100  1
  O  O24  1  0.71909500  0.65433800  0.02396900  1
  O  O25  1  0.37754600  0.23528700  0.62450500  1
  O  O26  1  0.88648900  0.69188000  0.50303900  1
  O  O27  1  0.69387600  0.49461400  0.89614200  1
  O  O28  1  0.63617000  0.37365200  0.23281800  1
  O  O29  1  0.34142500  0.00779500  0.95266200  1
  O  O30  1  0.75835300  0.38119900  0.63570800  1
  O  O31  1  0.52045400  0.10267300  0.29674600  1
  O  O32  1  0.96303300  0.33748200  0.99890700  1
  O  O33  1  0.65876800  0.02220000  0.70996200  1
  O  O34  1  0.95573200  0.27014100  0.36854000  1
  O  O35  1  0.97303100  0.04622400  0.68526500  1
