# generated using pymatgen
data_Li2Cr3Ni(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05025988
_cell_length_b   8.93145382
_cell_length_c   8.96618873
_cell_angle_alpha   55.91625993
_cell_angle_beta   55.42672569
_cell_angle_gamma   55.15093651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr3Ni(SO4)6
_chemical_formula_sum   'Li2 Cr3 Ni1 S6 O24'
_cell_volume   458.86109820
_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  0.18210100  0.42591500  0.76581500  1
  Li  Li1  1  0.76522200  0.18349600  0.42805100  1
  Cr  Cr2  1  0.35653100  0.35673400  0.34613100  1
  Cr  Cr3  1  0.64138500  0.64397700  0.64508200  1
  Cr  Cr4  1  0.84634400  0.84963500  0.85339000  1
  Ni  Ni5  1  0.16230400  0.14804800  0.15568300  1
  S  S6  1  0.03593300  0.74702100  0.46448000  1
  S  S7  1  0.54106000  0.95384300  0.25637200  1
  S  S8  1  0.25117900  0.54934700  0.94825300  1
  S  S9  1  0.75646300  0.46447500  0.03335800  1
  S  S10  1  0.46077000  0.03610600  0.75527400  1
  S  S11  1  0.95152600  0.25049300  0.54737300  1
  O  O12  1  0.00052100  0.95507500  0.34458800  1
  O  O13  1  0.02599500  0.70697100  0.65886200  1
  O  O14  1  0.35395100  0.96859400  0.29092800  1
  O  O15  1  0.04574500  0.68421000  0.97654300  1
  O  O16  1  0.48978900  0.89618000  0.69390300  1
  O  O17  1  0.23222000  0.62059200  0.37737600  1
  O  O18  1  0.67413700  0.97964300  0.05025000  1
  O  O19  1  0.37927900  0.63653600  0.75200300  1
  O  O20  1  0.29623400  0.51654600  0.09843300  1
  O  O21  1  0.10082200  0.29465200  0.51550500  1
  O  O22  1  0.63399400  0.75703500  0.38211100  1
  O  O23  1  0.28095100  0.36309100  0.95295400  1
  O  O24  1  0.71791500  0.65640100  0.02255000  1
  O  O25  1  0.37521500  0.23722100  0.62944800  1
  O  O26  1  0.88917600  0.69666300  0.49501600  1
  O  O27  1  0.69426100  0.49177900  0.89590000  1
  O  O28  1  0.64210800  0.36933600  0.23279200  1
  O  O29  1  0.33917400  0.00313900  0.95924700  1
  O  O30  1  0.75321800  0.38127100  0.63485900  1
  O  O31  1  0.51987900  0.10339200  0.29960300  1
  O  O32  1  0.96577800  0.33821900  0.99315200  1
  O  O33  1  0.65632600  0.02372800  0.71138300  1
  O  O34  1  0.95765000  0.27783100  0.36245100  1
  O  O35  1  0.97514000  0.04600000  0.68218000  1
