# generated using pymatgen
data_Al2(CuS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.30642702
_cell_length_b   16.30642702
_cell_length_c   16.30642702
_cell_angle_alpha   161.59585618
_cell_angle_beta   161.59585618
_cell_angle_gamma   26.14180254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2(CuS2)3
_chemical_formula_sum   'Al4 Cu6 S12'
_cell_volume   432.04061127
_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  0.91896400  0.41896400  0.50000000  1.0
  Al  Al1  1  0.58103600  0.08103600  0.50000000  1.0
  Al  Al2  1  0.83103600  0.83103600  0.00000000  1.0
  Al  Al3  1  0.16896400  0.16896400  0.00000000  1.0
  Cu  Cu4  1  0.33142100  0.33142100  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu6  1  0.66857900  0.66857900  0.00000000  1.0
  Cu  Cu7  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu8  1  0.41857900  0.91857900  0.50000000  1.0
  Cu  Cu9  1  0.08142100  0.58142100  0.50000000  1.0
  S  S10  1  0.53705700  0.03762700  0.99316200  1.0
  S  S11  1  0.21294300  0.70610500  0.00057000  1.0
  S  S12  1  0.87500000  0.37706400  0.00206400  1.0
  S  S13  1  0.62293600  0.62500000  0.49793600  1.0
  S  S14  1  0.29389500  0.29446500  0.50683800  1.0
  S  S15  1  0.96237300  0.95553500  0.49943000  1.0
  S  S16  1  0.04446500  0.54389500  0.00683800  1.0
  S  S17  1  0.70553500  0.21237300  0.99943000  1.0
  S  S18  1  0.37500000  0.87293600  0.99793600  1.0
  S  S19  1  0.12706400  0.12500000  0.50206400  1.0
  S  S20  1  0.78762700  0.78705700  0.49316200  1.0
  S  S21  1  0.45610500  0.46294300  0.50057000  1.0