# generated using pymatgen
data_LiBi2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89284865
_cell_length_b   8.89284865
_cell_length_c   8.89284855
_cell_angle_alpha   64.27159013
_cell_angle_beta   64.27159013
_cell_angle_gamma   64.27159623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2(SO4)3
_chemical_formula_sum   'Li2 Bi4 S6 O24'
_cell_volume   543.96502317
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Bi  Bi2  1  0.33330300  0.33330300  0.33330300  1
  Bi  Bi3  1  0.16669700  0.16669700  0.16669700  1
  Bi  Bi4  1  0.66669700  0.66669700  0.66669700  1
  Bi  Bi5  1  0.83330300  0.83330300  0.83330300  1
  S  S6  1  0.75000000  0.08429100  0.41570900  1
  S  S7  1  0.91570900  0.58429100  0.25000000  1
  S  S8  1  0.58429100  0.25000000  0.91570900  1
  S  S9  1  0.41570900  0.75000000  0.08429100  1
  S  S10  1  0.08429100  0.41570900  0.75000000  1
  S  S11  1  0.25000000  0.91570900  0.58429100  1
  O  O12  1  0.89536500  0.09498800  0.24648900  1
  O  O13  1  0.75351100  0.10463500  0.90501200  1
  O  O14  1  0.94029600  0.44852500  0.68529800  1
  O  O15  1  0.05147500  0.55970400  0.81470200  1
  O  O16  1  0.60463500  0.25351100  0.40501200  1
  O  O17  1  0.74648900  0.59498800  0.39536500  1
  O  O18  1  0.90501200  0.75351100  0.10463500  1
  O  O19  1  0.18529800  0.94852500  0.44029600  1
  O  O20  1  0.55147500  0.31470200  0.05970400  1
  O  O21  1  0.31470200  0.05970400  0.55147500  1
  O  O22  1  0.44029600  0.18529800  0.94852500  1
  O  O23  1  0.59498800  0.39536500  0.74648900  1
  O  O24  1  0.40501200  0.60463500  0.25351100  1
  O  O25  1  0.68529800  0.94029600  0.44852500  1
  O  O26  1  0.55970400  0.81470200  0.05147500  1
  O  O27  1  0.81470200  0.05147500  0.55970400  1
  O  O28  1  0.44852500  0.68529800  0.94029600  1
  O  O29  1  0.09498800  0.24648900  0.89536500  1
  O  O30  1  0.25351100  0.40501200  0.60463500  1
  O  O31  1  0.39536500  0.74648900  0.59498800  1
  O  O32  1  0.05970400  0.55147500  0.31470200  1
  O  O33  1  0.94852500  0.44029600  0.18529800  1
  O  O34  1  0.24648900  0.89536500  0.09498800  1
  O  O35  1  0.10463500  0.90501200  0.75351100  1
