# generated using pymatgen
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91038000
_cell_length_b   12.76607700
_cell_length_c   21.81819000
_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   1367.70136771
_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  0.11587500  0.08894100  0.86382200  1
  Li  Li1  1  0.88412500  0.08894100  0.36382200  1
  Li  Li2  1  0.46931400  0.07552800  0.19840700  1
  Li  Li3  1  0.53068600  0.07552800  0.69840700  1
  Li  Li4  1  0.16768900  0.08119200  0.53750100  1
  Li  Li5  1  0.83231100  0.08119200  0.03750100  1
  Li  Li6  1  0.33231100  0.41880800  0.03750100  1
  Li  Li7  1  0.66768900  0.41880800  0.53750100  1
  Li  Li8  1  0.96931400  0.42447200  0.19840700  1
  Li  Li9  1  0.03068600  0.42447200  0.69840700  1
  Li  Li10  1  0.38412500  0.41105900  0.36382200  1
  Li  Li11  1  0.61587500  0.41105900  0.86382200  1
  Li  Li12  1  0.61587500  0.58894100  0.63617800  1
  Li  Li13  1  0.38412500  0.58894100  0.13617800  1
  Li  Li14  1  0.03068600  0.57552800  0.80159300  1
  Li  Li15  1  0.96931400  0.57552800  0.30159300  1
  Li  Li16  1  0.33231100  0.58119200  0.46249900  1
  Li  Li17  1  0.66768900  0.58119200  0.96249900  1
  Li  Li18  1  0.83231100  0.91880800  0.46249900  1
  Li  Li19  1  0.16768900  0.91880800  0.96249900  1
  Li  Li20  1  0.46931400  0.92447200  0.30159300  1
  Li  Li21  1  0.53068600  0.92447200  0.80159300  1
  Li  Li22  1  0.11587500  0.91105900  0.63617800  1
  Li  Li23  1  0.88412500  0.91105900  0.13617800  1
  Cu  Cu24  1  0.19290100  0.24720100  0.14610900  1
  Cu  Cu25  1  0.80709900  0.24720100  0.64610900  1
  Cu  Cu26  1  0.82893600  0.24771200  0.79320100  1
  Cu  Cu27  1  0.17106400  0.24771200  0.29320100  1
  Cu  Cu28  1  0.48696100  0.24473500  0.47055900  1
  Cu  Cu29  1  0.51303900  0.24473500  0.97055900  1
  Cu  Cu30  1  0.98696100  0.25526500  0.47055900  1
  Cu  Cu31  1  0.01303900  0.25526500  0.97055900  1
  Cu  Cu32  1  0.67106400  0.25228800  0.29320100  1
  Cu  Cu33  1  0.32893600  0.25228800  0.79320100  1
  Cu  Cu34  1  0.69290100  0.25279900  0.14610900  1
  Cu  Cu35  1  0.30709900  0.25279900  0.64610900  1
  Cu  Cu36  1  0.69290100  0.74720100  0.35389100  1
  Cu  Cu37  1  0.30709900  0.74720100  0.85389100  1
  Cu  Cu38  1  0.32893600  0.74771200  0.70679900  1
  Cu  Cu39  1  0.67106400  0.74771200  0.20679900  1
  Cu  Cu40  1  0.98696100  0.74473500  0.02944100  1
  Cu  Cu41  1  0.01303900  0.74473500  0.52944100  1
  Cu  Cu42  1  0.51303900  0.75526500  0.52944100  1
  Cu  Cu43  1  0.48696100  0.75526500  0.02944100  1
  Cu  Cu44  1  0.82893600  0.75228800  0.70679900  1
  Cu  Cu45  1  0.17106400  0.75228800  0.20679900  1
  Cu  Cu46  1  0.19290100  0.75279900  0.35389100  1
  Cu  Cu47  1  0.80709900  0.75279900  0.85389100  1
  S  S48  1  0.93183500  0.10974000  0.14616100  1
  S  S49  1  0.06816500  0.10974000  0.64616100  1
  S  S50  1  0.42760500  0.11254400  0.30644000  1
  S  S51  1  0.57239500  0.11254400  0.80644000  1
  S  S52  1  0.24450100  0.11058600  0.97278300  1
  S  S53  1  0.75549900  0.11058600  0.47278300  1
  S  S54  1  0.74450100  0.38941400  0.97278300  1
  S  S55  1  0.25549900  0.38941400  0.47278300  1
  S  S56  1  0.92760500  0.38745600  0.30644000  1
  S  S57  1  0.07239500  0.38745600  0.80644000  1
  S  S58  1  0.43183500  0.39026000  0.14616100  1
  S  S59  1  0.56816500  0.39026000  0.64616100  1
  S  S60  1  0.56816500  0.60974000  0.85383900  1
  S  S61  1  0.43183500  0.60974000  0.35383900  1
  S  S62  1  0.92760500  0.61254400  0.19356000  1
  S  S63  1  0.07239500  0.61254400  0.69356000  1
  S  S64  1  0.25549900  0.61058600  0.02721700  1
  S  S65  1  0.74450100  0.61058600  0.52721700  1
  S  S66  1  0.24450100  0.88941400  0.52721700  1
  S  S67  1  0.75549900  0.88941400  0.02721700  1
  S  S68  1  0.57239500  0.88745600  0.69356000  1
  S  S69  1  0.42760500  0.88745600  0.19356000  1
  S  S70  1  0.93183500  0.89026000  0.35383900  1
  S  S71  1  0.06816500  0.89026000  0.85383900  1
