# generated using pymatgen
data_Cu2GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43975778
_cell_length_b   6.41778010
_cell_length_c   6.45549353
_cell_angle_alpha   60.19306258
_cell_angle_beta   80.65194958
_cell_angle_gamma   70.92700970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeS3
_chemical_formula_sum   'Cu4 Ge2 S6'
_cell_volume   218.79390568
_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  0.13997048  0.03059565  0.16998732  1.0
  Cu  Cu1  1  0.13975716  0.37284027  0.49610808  1.0
  Cu  Cu2  1  0.63997048  0.20058197  0.83001268  1.0
  Cu  Cu3  1  0.63975716  0.86894734  0.50389192  1.0
  Ge  Ge4  1  0.12080808  0.72358907  0.82512975  1.0
  Ge  Ge5  1  0.62080808  0.54871782  0.17487125  1.0
  S  S6  1  0.51278290  0.25028768  0.49427233  1.0
  S  S7  1  0.01278290  0.74456101  0.50572767  1.0
  S  S8  1  0.51522858  0.91580379  0.16886109  1.0
  S  S9  1  0.01522858  0.08466388  0.83113891  1.0
  S  S10  1  0.00645280  0.41344061  0.16452931  1.0
  S  S11  1  0.50645280  0.57796992  0.83547069  1.0