# generated using pymatgen
data_LiZnCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31210100
_cell_length_b   8.31728291
_cell_length_c   8.90014660
_cell_angle_alpha   62.20374506
_cell_angle_beta   62.32803560
_cell_angle_gamma   60.36149811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnCr3(SO4)6
_chemical_formula_sum   'Li1 Zn1 Cr3 S6 O24'
_cell_volume   450.68715827
_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  0.77195800  0.41990900  0.62925200  1
  Zn  Zn1  1  0.16752600  0.13918700  0.54534500  1
  Cr  Cr2  1  0.35344800  0.35071300  0.93871900  1
  Cr  Cr3  1  0.64394100  0.64526800  0.06776100  1
  Cr  Cr4  1  0.85117000  0.85252900  0.44966700  1
  S  S5  1  0.03772800  0.46912800  0.74940000  1
  S  S6  1  0.54094000  0.25375700  0.24976100  1
  S  S7  1  0.25486000  0.95390600  0.24963200  1
  S  S8  1  0.74837300  0.03769200  0.74893400  1
  S  S9  1  0.46550200  0.74275800  0.75304400  1
  S  S10  1  0.95597000  0.54352400  0.24929100  1
  O  O11  1  0.29913900  0.10572100  0.07681000  1
  O  O12  1  0.10904400  0.50971300  0.08271300  1
  O  O13  1  0.00401200  0.33921200  0.70470100  1
  O  O14  1  0.02482900  0.65930200  0.60455200  1
  O  O15  1  0.35232600  0.28934800  0.38891700  1
  O  O16  1  0.04825300  0.98303000  0.29328700  1
  O  O17  1  0.51827000  0.29706300  0.07637600  1
  O  O18  1  0.23439200  0.37963600  0.76823100  1
  O  O19  1  0.67465200  0.04828100  0.29560700  1
  O  O20  1  0.38006100  0.75926800  0.22491600  1
  O  O21  1  0.63408400  0.38122000  0.22516200  1
  O  O22  1  0.29121200  0.96554000  0.38992400  1
  O  O23  1  0.71368600  0.02441300  0.60567000  1
  O  O24  1  0.38471600  0.60945200  0.76845500  1
  O  O25  1  0.61901300  0.24026400  0.76412400  1
  O  O26  1  0.33981800  0.94538300  0.70700900  1
  O  O27  1  0.76135600  0.63465400  0.22458200  1
  O  O28  1  0.49591000  0.68699100  0.92318200  1
  O  O29  1  0.94939200  0.01471700  0.70643500  1
  O  O30  1  0.66082800  0.70515700  0.60780400  1
  O  O31  1  0.96035900  0.35939400  0.39987100  1
  O  O32  1  0.98301700  0.67947600  0.29170400  1
  O  O33  1  0.89259300  0.49702400  0.92082100  1
  O  O34  1  0.68792200  0.89817100  0.92194200  1
