# generated using pymatgen
data_Cu3AsS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04152400
_cell_length_b   6.28950410
_cell_length_c   6.11002530
_cell_angle_alpha   87.73697866
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3AsS4
_chemical_formula_sum   'Cu3 As1 S4'
_cell_volume   155.19071408
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.50000000  0.23599200  0.64484800  1.0
  Cu  Cu1  1  0.00000000  0.70101500  0.86027400  1.0
  Cu  Cu2  1  0.00000000  0.23968400  0.11043500  1.0
  As  As3  1  0.50000000  0.80082000  0.37171400  1.0
  S  S4  1  0.50000000  0.85315200  0.74219800  1.0
  S  S5  1  0.50000000  0.15669300  0.26983500  1.0
  S  S6  1  0.00000000  0.66030000  0.24274600  1.0
  S  S7  1  0.00000000  0.35234400  0.75794900  1.0