# generated using pymatgen
data_Al(CuS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.59671917
_cell_length_b   15.59671917
_cell_length_c   15.59671917
_cell_angle_alpha   160.97082901
_cell_angle_beta   160.97082901
_cell_angle_gamma   27.03797947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(CuS2)3
_chemical_formula_sum   'Al2 Cu6 S12'
_cell_volume   403.17669699
_cell_formula_units_Z   2
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
  Al  Al0  1  0.25000000  0.75000000  0.50000000  1.0
  Al  Al1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.66471800  0.66471800  0.00000000  1.0
  Cu  Cu3  1  0.33528200  0.33528200  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.08528200  0.58528200  0.50000000  1.0
  Cu  Cu6  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu7  1  0.41471800  0.91471800  0.50000000  1.0
  S  S8  1  0.87500000  0.38225600  0.00725600  1.0
  S  S9  1  0.55224400  0.03796500  0.00249000  1.0
  S  S10  1  0.19775600  0.70024500  0.98572100  1.0
  S  S11  1  0.96203500  0.96452400  0.51427900  1.0
  S  S12  1  0.61774400  0.62500000  0.49274400  1.0
  S  S13  1  0.29975500  0.28547600  0.49751000  1.0
  S  S14  1  0.37500000  0.86774400  0.99274400  1.0
  S  S15  1  0.03547600  0.54975500  0.99751000  1.0
  S  S16  1  0.71452400  0.21203500  0.01427900  1.0
  S  S17  1  0.45024500  0.44775600  0.48572100  1.0
  S  S18  1  0.13225600  0.12500000  0.50725600  1.0
  S  S19  1  0.78796500  0.80224400  0.50249000  1.0