# generated using pymatgen
data_LiBi2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85980800
_cell_length_b   8.94160400
_cell_length_c   15.51132223
_cell_angle_alpha   55.27566798
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2(SO4)3
_chemical_formula_sum   'Li4 Bi8 S12 O48'
_cell_volume   1123.96518119
_cell_formula_units_Z   4
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  0.77345100  0.99116300  0.32120100  1
  Li  Li1  1  0.27345100  0.00883700  0.17879900  1
  Li  Li2  1  0.72654900  0.99116300  0.82120100  1
  Li  Li3  1  0.22654900  0.00883700  0.67879900  1
  Bi  Bi4  1  0.53636300  0.37455500  0.88349600  1
  Bi  Bi5  1  0.94950000  0.18848000  0.09752900  1
  Bi  Bi6  1  0.03636300  0.62544500  0.61650400  1
  Bi  Bi7  1  0.44950000  0.81152000  0.40247100  1
  Bi  Bi8  1  0.55050000  0.18848000  0.59752900  1
  Bi  Bi9  1  0.96363700  0.37455500  0.38349600  1
  Bi  Bi10  1  0.05050000  0.81152000  0.90247100  1
  Bi  Bi11  1  0.46363700  0.62544500  0.11650400  1
  S  S12  1  0.27691100  0.43761500  0.00541700  1
  S  S13  1  0.37784200  0.75951800  0.65033700  1
  S  S14  1  0.09738600  0.04465600  0.34319800  1
  S  S15  1  0.59738600  0.95534400  0.15680200  1
  S  S16  1  0.87784200  0.24048200  0.84966300  1
  S  S17  1  0.77691100  0.56238500  0.49458300  1
  S  S18  1  0.22308900  0.43761500  0.50541700  1
  S  S19  1  0.12215800  0.75951800  0.15033700  1
  S  S20  1  0.40261400  0.04465600  0.84319800  1
  S  S21  1  0.90261400  0.95534400  0.65680200  1
  S  S22  1  0.62215800  0.24048200  0.34966300  1
  S  S23  1  0.72308900  0.56238500  0.99458300  1
  O  O24  1  0.85891300  0.47905600  0.04229600  1
  O  O25  1  0.88893900  0.82859300  0.62390300  1
  O  O26  1  0.59118500  0.10454200  0.32503500  1
  O  O27  1  0.69857800  0.53571500  0.90863900  1
  O  O28  1  0.38475800  0.53284700  0.92261100  1
  O  O29  1  0.23442700  0.69935100  0.68364800  1
  O  O30  1  0.39032200  0.84929600  0.53521200  1
  O  O31  1  0.96746200  0.08928900  0.27984800  1
  O  O32  1  0.27657100  0.24433400  0.04625700  1
  O  O33  1  0.21382500  0.06511900  0.27832500  1
  O  O34  1  0.08743200  0.85427500  0.43797500  1
  O  O35  1  0.47367000  0.60278700  0.70608500  1
  O  O36  1  0.97367000  0.39721300  0.79391500  1
  O  O37  1  0.58743200  0.14572500  0.06202500  1
  O  O38  1  0.71382500  0.93488100  0.22167500  1
  O  O39  1  0.77657100  0.75566600  0.45374300  1
  O  O40  1  0.89032200  0.15070400  0.96478800  1
  O  O41  1  0.46746200  0.91071100  0.22015200  1
  O  O42  1  0.73442700  0.30064900  0.81635200  1
  O  O43  1  0.88475800  0.46715300  0.57738900  1
  O  O44  1  0.19857800  0.46428500  0.59136100  1
  O  O45  1  0.38893900  0.17140700  0.87609700  1
  O  O46  1  0.09118500  0.89545800  0.17496500  1
  O  O47  1  0.35891300  0.52094400  0.45770400  1
  O  O48  1  0.64108700  0.47905600  0.54229600  1
  O  O49  1  0.90881500  0.10454200  0.82503500  1
  O  O50  1  0.61106100  0.82859300  0.12390300  1
  O  O51  1  0.80142200  0.53571500  0.40863900  1
  O  O52  1  0.11524200  0.53284700  0.42261100  1
  O  O53  1  0.26557300  0.69935100  0.18364800  1
  O  O54  1  0.53253800  0.08928900  0.77984800  1
  O  O55  1  0.10967800  0.84929600  0.03521200  1
  O  O56  1  0.22342900  0.24433400  0.54625700  1
  O  O57  1  0.28617500  0.06511900  0.77832500  1
  O  O58  1  0.41256800  0.85427500  0.93797500  1
  O  O59  1  0.02633000  0.60278700  0.20608500  1
  O  O60  1  0.52633000  0.39721300  0.29391500  1
  O  O61  1  0.91256800  0.14572500  0.56202500  1
  O  O62  1  0.78617500  0.93488100  0.72167500  1
  O  O63  1  0.72342900  0.75566600  0.95374300  1
  O  O64  1  0.03253800  0.91071100  0.72015200  1
  O  O65  1  0.60967800  0.15070400  0.46478800  1
  O  O66  1  0.76557300  0.30064900  0.31635200  1
  O  O67  1  0.61524200  0.46715300  0.07738900  1
  O  O68  1  0.30142200  0.46428500  0.09136100  1
  O  O69  1  0.40881500  0.89545800  0.67496500  1
  O  O70  1  0.11106100  0.17140700  0.37609700  1
  O  O71  1  0.14108700  0.52094400  0.95770400  1
