# generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74952174
_cell_length_b   9.74952174
_cell_length_c   9.74952174
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS2
_chemical_formula_sum   'Li24 Cu8 S16'
_cell_volume   713.39168831
_cell_formula_units_Z   8
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  0.74909500  0.99876200  0.99589600  1
  Li  Li1  1  0.99713400  0.50123800  0.25033300  1
  Li  Li2  1  0.74966700  0.00286600  0.49876200  1
  Li  Li3  1  0.75033300  0.24909500  0.25319900  1
  Li  Li4  1  0.49589600  0.49713400  0.24680100  1
  Li  Li5  1  0.00410400  0.25090500  0.00123800  1
  Li  Li6  1  0.00123800  0.00410400  0.25090500  1
  Li  Li7  1  0.49876200  0.74966700  0.00286600  1
  Li  Li8  1  0.74680100  0.24966700  0.75090500  1
  Li  Li9  1  0.75319900  0.50410400  0.50286600  1
  Li  Li10  1  0.49713400  0.24680100  0.49589600  1
  Li  Li11  1  0.75090500  0.74680100  0.24966700  1
  Li  Li12  1  0.50286600  0.75319900  0.50410400  1
  Li  Li13  1  0.24909500  0.25319900  0.75033300  1
  Li  Li14  1  0.24680100  0.49589600  0.49713400  1
  Li  Li15  1  0.25319900  0.75033300  0.24909500  1
  Li  Li16  1  0.99876200  0.99589600  0.74909500  1
  Li  Li17  1  0.50123800  0.25033300  0.99713400  1
  Li  Li18  1  0.50410400  0.50286600  0.75319900  1
  Li  Li19  1  0.99589600  0.74909500  0.99876200  1
  Li  Li20  1  0.25033300  0.99713400  0.50123800  1
  Li  Li21  1  0.24966700  0.75090500  0.74680100  1
  Li  Li22  1  0.00286600  0.49876200  0.74966700  1
  Li  Li23  1  0.25090500  0.00123800  0.00410400  1
  Cu  Cu24  1  0.75419100  0.50000000  0.00000000  1
  Cu  Cu25  1  0.50000000  0.00000000  0.24580900  1
  Cu  Cu26  1  0.25419100  0.25419100  0.25419100  1
  Cu  Cu27  1  0.24580900  0.50000000  0.00000000  1
  Cu  Cu28  1  0.50000000  0.00000000  0.75419100  1
  Cu  Cu29  1  0.00000000  0.24580900  0.50000000  1
  Cu  Cu30  1  0.74580900  0.74580900  0.74580900  1
  Cu  Cu31  1  0.00000000  0.75419100  0.50000000  1
  S  S32  1  0.75000000  0.00285800  0.25285800  1
  S  S33  1  0.00000000  0.00000000  0.00000000  1
  S  S34  1  0.50000000  0.00000000  0.50000000  1
  S  S35  1  0.50000000  0.50000000  0.00000000  1
  S  S36  1  0.49714200  0.24714200  0.25000000  1
  S  S37  1  0.99714200  0.74714200  0.25000000  1
  S  S38  1  0.25000000  0.49714200  0.24714200  1
  S  S39  1  0.24714200  0.25000000  0.49714200  1
  S  S40  1  0.25285800  0.75000000  0.00285800  1
  S  S41  1  0.75285800  0.75000000  0.50285800  1
  S  S42  1  0.74714200  0.25000000  0.99714200  1
  S  S43  1  0.75000000  0.50285800  0.75285800  1
  S  S44  1  0.00000000  0.50000000  0.50000000  1
  S  S45  1  0.00285800  0.25285800  0.75000000  1
  S  S46  1  0.50285800  0.75285800  0.75000000  1
  S  S47  1  0.25000000  0.99714200  0.74714200  1
