# generated using pymatgen
data_Li2MgCr3Se3(SO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54089900
_cell_length_b   8.56344363
_cell_length_c   9.08139748
_cell_angle_alpha   63.61232315
_cell_angle_beta   62.64458461
_cell_angle_gamma   60.82664455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCr3Se3(SO8)3
_chemical_formula_sum   'Li2 Mg1 Cr3 Se3 S3 O24'
_cell_volume   493.84822280
_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  0.76921800  0.16963700  0.63405600  1
  Li  Li1  1  0.42205400  0.76073000  0.62405800  1
  Mg  Mg2  1  0.16732000  0.15251000  0.54111000  1
  Cr  Cr3  1  0.84525500  0.84934400  0.45231900  1
  Cr  Cr4  1  0.64469200  0.65413700  0.06868000  1
  Cr  Cr5  1  0.35185500  0.35181300  0.93186300  1
  Se  Se6  1  0.94568100  0.25489300  0.25233800  1
  Se  Se7  1  0.75776800  0.45853900  0.75165300  1
  Se  Se8  1  0.25635400  0.54464400  0.24627900  1
  S  S9  1  0.47023500  0.03096400  0.75032000  1
  S  S10  1  0.54664100  0.95403400  0.25396800  1
  S  S11  1  0.03017200  0.75667400  0.74346400  1
  O  O12  1  0.97719900  0.03204900  0.29353300  1
  O  O13  1  0.96009800  0.27514000  0.42145200  1
  O  O14  1  0.98003300  0.32141000  0.70481100  1
  O  O15  1  0.65927400  0.02446600  0.60800400  1
  O  O16  1  0.50805400  0.10177900  0.09972200  1
  O  O17  1  0.72864200  0.40221000  0.24222300  1
  O  O18  1  0.35219500  0.99671300  0.69724600  1
  O  O19  1  0.62010900  0.36508600  0.75818200  1
  O  O20  1  0.68868000  0.48466300  0.94456800  1
  O  O21  1  0.89480200  0.70172600  0.91426100  1
  O  O22  1  0.38316800  0.21979200  0.76970800  1
  O  O23  1  0.70011000  0.67019300  0.60237800  1
  O  O24  1  0.30231500  0.33830300  0.39143200  1
  O  O25  1  0.63608500  0.76536400  0.22639200  1
  O  O26  1  0.10572000  0.30273800  0.06675500  1
  O  O27  1  0.30124300  0.53115500  0.05263100  1
  O  O28  1  0.38523400  0.65524400  0.22694100  1
  O  O29  1  0.67960400  0.97790700  0.29917400  1
  O  O30  1  0.22636100  0.64381400  0.74799100  1
  O  O31  1  0.50346700  0.88873800  0.91165200  1
  O  O32  1  0.36898800  0.95594900  0.40537300  1
  O  O33  1  0.02692400  0.68018300  0.30035000  1
  O  O34  1  0.00749900  0.71994600  0.60842000  1
  O  O35  1  0.99925100  0.95821300  0.69749300  1
