# generated using pymatgen
data_LiBiCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97212400
_cell_length_b   5.44503200
_cell_length_c   9.20961868
_cell_angle_alpha   89.14822320
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiCSO7
_chemical_formula_sum   'Li2 Bi2 C2 S2 O14'
_cell_volume   349.59015578
_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  0.50033000  0.26866400  0.82519800  1
  Li  Li1  1  0.00033000  0.73133600  0.17480200  1
  Bi  Bi2  1  0.75318900  0.77704800  0.64699500  1
  Bi  Bi3  1  0.25318900  0.22295200  0.35300500  1
  C  C4  1  0.73462000  0.72050000  0.93534400  1
  C  C5  1  0.23462000  0.27950000  0.06465600  1
  S  S6  1  0.25971600  0.72493800  0.59295800  1
  S  S7  1  0.75971600  0.27506200  0.40704200  1
  O  O8  1  0.27445500  0.30709500  0.93441300  1
  O  O9  1  0.73710600  0.93995000  0.86657800  1
  O  O10  1  0.69407500  0.53464400  0.84668400  1
  O  O11  1  0.08814800  0.79551600  0.67926600  1
  O  O12  1  0.42260400  0.87864600  0.64760400  1
  O  O13  1  0.72949200  0.21509800  0.56645000  1
  O  O14  1  0.30411500  0.46117100  0.60743700  1
  O  O15  1  0.80411500  0.53882900  0.39256300  1
  O  O16  1  0.22949200  0.78490200  0.43355000  1
  O  O17  1  0.92260400  0.12135400  0.35239600  1
  O  O18  1  0.58814800  0.20448400  0.32073400  1
  O  O19  1  0.19407500  0.46535600  0.15331600  1
  O  O20  1  0.23710600  0.06005000  0.13342200  1
  O  O21  1  0.77445500  0.69290500  0.06558700  1
