# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29985600
_cell_length_b   12.38011500
_cell_length_c   16.11785200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuS
_chemical_formula_sum   'Li24 Cu24 S24'
_cell_volume   1057.53783107
_cell_formula_units_Z   24
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  0.84020700  0.07792500  0.17793900  1
  Li  Li1  1  0.15979300  0.07792500  0.67793900  1
  Li  Li2  1  0.33298300  0.07478000  0.33733300  1
  Li  Li3  1  0.66701700  0.07478000  0.83733300  1
  Li  Li4  1  0.26928000  0.07828000  0.01069800  1
  Li  Li5  1  0.73072000  0.07828000  0.51069800  1
  Li  Li6  1  0.76928000  0.42172000  0.01069800  1
  Li  Li7  1  0.23072000  0.42172000  0.51069800  1
  Li  Li8  1  0.83298300  0.42522000  0.33733300  1
  Li  Li9  1  0.16701700  0.42522000  0.83733300  1
  Li  Li10  1  0.34020700  0.42207500  0.17793900  1
  Li  Li11  1  0.65979300  0.42207500  0.67793900  1
  Li  Li12  1  0.65979300  0.57792500  0.82206100  1
  Li  Li13  1  0.34020700  0.57792500  0.32206100  1
  Li  Li14  1  0.83298300  0.57478000  0.16266700  1
  Li  Li15  1  0.16701700  0.57478000  0.66266700  1
  Li  Li16  1  0.23072000  0.57828000  0.98930200  1
  Li  Li17  1  0.76928000  0.57828000  0.48930200  1
  Li  Li18  1  0.26928000  0.92172000  0.48930200  1
  Li  Li19  1  0.73072000  0.92172000  0.98930200  1
  Li  Li20  1  0.66701700  0.92522000  0.66266700  1
  Li  Li21  1  0.33298300  0.92522000  0.16266700  1
  Li  Li22  1  0.84020700  0.92207500  0.32206100  1
  Li  Li23  1  0.15979300  0.92207500  0.82206100  1
  Cu  Cu24  1  0.59695000  0.23533500  0.09695900  1
  Cu  Cu25  1  0.40305000  0.23533500  0.59695900  1
  Cu  Cu26  1  0.40468100  0.25800600  0.76589200  1
  Cu  Cu27  1  0.59531900  0.25800600  0.26589200  1
  Cu  Cu28  1  0.96871900  0.23805800  0.42847200  1
  Cu  Cu29  1  0.03128100  0.23805800  0.92847200  1
  Cu  Cu30  1  0.46871900  0.26194200  0.42847200  1
  Cu  Cu31  1  0.53128100  0.26194200  0.92847200  1
  Cu  Cu32  1  0.09531900  0.24199400  0.26589200  1
  Cu  Cu33  1  0.90468100  0.24199400  0.76589200  1
  Cu  Cu34  1  0.09695000  0.26466500  0.09695900  1
  Cu  Cu35  1  0.90305000  0.26466500  0.59695900  1
  Cu  Cu36  1  0.90305000  0.73533500  0.90304100  1
  Cu  Cu37  1  0.09695000  0.73533500  0.40304100  1
  Cu  Cu38  1  0.90468100  0.75800600  0.73410800  1
  Cu  Cu39  1  0.09531900  0.75800600  0.23410800  1
  Cu  Cu40  1  0.46871900  0.73805800  0.07152800  1
  Cu  Cu41  1  0.53128100  0.73805800  0.57152800  1
  Cu  Cu42  1  0.03128100  0.76194200  0.57152800  1
  Cu  Cu43  1  0.96871900  0.76194200  0.07152800  1
  Cu  Cu44  1  0.40468100  0.74199400  0.73410800  1
  Cu  Cu45  1  0.59531900  0.74199400  0.23410800  1
  Cu  Cu46  1  0.59695000  0.76466500  0.40304100  1
  Cu  Cu47  1  0.40305000  0.76466500  0.90304100  1
  S  S48  1  0.19950400  0.11815100  0.83096900  1
  S  S49  1  0.80049600  0.11815100  0.33096900  1
  S  S50  1  0.29559200  0.12606100  0.16793200  1
  S  S51  1  0.70440800  0.12606100  0.66793200  1
  S  S52  1  0.25586900  0.12137100  0.49512400  1
  S  S53  1  0.74413100  0.12137100  0.99512400  1
  S  S54  1  0.24413100  0.37862900  0.99512400  1
  S  S55  1  0.75586900  0.37862900  0.49512400  1
  S  S56  1  0.79559200  0.37393900  0.16793200  1
  S  S57  1  0.20440800  0.37393900  0.66793200  1
  S  S58  1  0.30049600  0.38184900  0.33096900  1
  S  S59  1  0.69950400  0.38184900  0.83096900  1
  S  S60  1  0.69950400  0.61815100  0.66903100  1
  S  S61  1  0.30049600  0.61815100  0.16903100  1
  S  S62  1  0.79559200  0.62606100  0.33206800  1
  S  S63  1  0.20440800  0.62606100  0.83206800  1
  S  S64  1  0.24413100  0.62137100  0.50487600  1
  S  S65  1  0.75586900  0.62137100  0.00487600  1
  S  S66  1  0.74413100  0.87862900  0.50487600  1
  S  S67  1  0.25586900  0.87862900  0.00487600  1
  S  S68  1  0.29559200  0.87393900  0.33206800  1
  S  S69  1  0.70440800  0.87393900  0.83206800  1
  S  S70  1  0.19950400  0.88184900  0.66903100  1
  S  S71  1  0.80049600  0.88184900  0.16903100  1
