# generated using pymatgen
data_Li3CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19207602
_cell_length_b   8.19207602
_cell_length_c   8.19207602
_cell_angle_alpha   122.36313470
_cell_angle_beta   122.36313470
_cell_angle_gamma   85.95345405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuS2
_chemical_formula_sum   'Li12 Cu4 S8'
_cell_volume   373.84534410
_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  0.71235800  0.28764200  0.00000000  1
  Li  Li1  1  0.87500000  0.12500000  0.75000000  1
  Li  Li2  1  0.37500000  0.12500000  0.25000000  1
  Li  Li3  1  0.71235800  0.71235800  0.42471500  1
  Li  Li4  1  0.28764200  0.71235800  0.00000000  1
  Li  Li5  1  0.46235800  0.96235800  0.92471500  1
  Li  Li6  1  0.87500000  0.62500000  0.75000000  1
  Li  Li7  1  0.87500000  0.12500000  0.25000000  1
  Li  Li8  1  0.03764200  0.53764200  0.07528500  1
  Li  Li9  1  0.46235800  0.53764200  0.50000000  1
  Li  Li10  1  0.28764200  0.28764200  0.57528500  1
  Li  Li11  1  0.03764200  0.96235800  0.50000000  1
  Cu  Cu12  1  0.35246300  0.35246300  0.00000000  1
  Cu  Cu13  1  0.64753700  0.64753700  0.00000000  1
  Cu  Cu14  1  0.10246300  0.60246300  0.50000000  1
  Cu  Cu15  1  0.39753700  0.89753700  0.50000000  1
  S  S16  1  0.66508700  0.89473800  0.77035000  1
  S  S17  1  0.62561200  0.35526200  0.27035000  1
  S  S18  1  0.10526200  0.33491300  0.22965000  1
  S  S19  1  0.64473800  0.37438800  0.72965000  1
  S  S20  1  0.10526200  0.87561200  0.77035000  1
  S  S21  1  0.64473800  0.91508700  0.27035000  1
  S  S22  1  0.08491300  0.35526200  0.72965000  1
  S  S23  1  0.12438800  0.89473800  0.22965000  1
