# generated using pymatgen
data_Cu2SiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36704773
_cell_length_b   6.36704773
_cell_length_c   6.14294100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999716
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiS3
_chemical_formula_sum   'Cu4 Si2 S6'
_cell_volume   215.66675256
_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
  Cu  Cu0  1  0.66861500  0.66861500  0.37905900  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.85773000  1.0
  Cu  Cu2  1  0.00000000  0.33138500  0.37905900  1.0
  Cu  Cu3  1  0.33138500  0.00000000  0.37905900  1.0
  Si  Si4  1  0.66666700  0.33333300  0.85392200  1.0
  Si  Si5  1  0.33333300  0.66666700  0.85392200  1.0
  S  S6  1  0.64687800  0.64687800  0.00699800  1.0
  S  S7  1  0.35312200  0.00000000  0.00699800  1.0
  S  S8  1  0.33333300  0.66666700  0.51681900  1.0
  S  S9  1  0.00000000  0.35312200  0.00699800  1.0
  S  S10  1  0.00000000  0.00000000  0.49261200  1.0
  S  S11  1  0.66666700  0.33333300  0.51681900  1.0