# generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97154300
_cell_length_b   7.10664000
_cell_length_c   8.78640074
_cell_angle_alpha   54.60762772
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS2
_chemical_formula_sum   'Li12 Cu4 S8'
_cell_volume   405.77426669
_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  0.77053100  0.73214400  0.65926900  1
  Li  Li1  1  0.50164900  0.24715800  0.11156900  1
  Li  Li2  1  0.94860200  0.20820700  0.04493500  1
  Li  Li3  1  0.27053100  0.26785600  0.84073100  1
  Li  Li4  1  0.99835100  0.24715800  0.61156900  1
  Li  Li5  1  0.44860200  0.79179300  0.45506500  1
  Li  Li6  1  0.55139800  0.20820700  0.54493500  1
  Li  Li7  1  0.00164900  0.75284200  0.38843100  1
  Li  Li8  1  0.72946900  0.73214400  0.15926900  1
  Li  Li9  1  0.05139800  0.79179300  0.95506500  1
  Li  Li10  1  0.49835100  0.75284200  0.88843100  1
  Li  Li11  1  0.22946900  0.26785600  0.34073100  1
  Cu  Cu12  1  0.16868600  0.76199500  0.69168800  1
  Cu  Cu13  1  0.66868600  0.23800500  0.80831200  1
  Cu  Cu14  1  0.33131400  0.76199500  0.19168800  1
  Cu  Cu15  1  0.83131400  0.23800500  0.30831200  1
  S  S16  1  0.01230100  0.49322400  0.72528000  1
  S  S17  1  0.51230100  0.50677600  0.77472000  1
  S  S18  1  0.72537100  0.96350600  0.30138400  1
  S  S19  1  0.22537100  0.03649400  0.19861600  1
  S  S20  1  0.77462900  0.96350600  0.80138400  1
  S  S21  1  0.27462900  0.03649400  0.69861600  1
  S  S22  1  0.48769900  0.49322400  0.22528000  1
  S  S23  1  0.98769900  0.50677600  0.27472000  1
