# generated using pymatgen
data_Cu6BiS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79989000
_cell_length_b   3.90297656
_cell_length_c   19.09071362
_cell_angle_alpha   91.88877479
_cell_angle_beta   90.38500174
_cell_angle_gamma   117.49556443
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu6BiS6
_chemical_formula_sum   'Cu6 Bi1 S6'
_cell_volume   250.93807093
_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  0.12347300  0.56653000  0.94732300  1.0
  Cu  Cu1  1  0.62775300  0.26049300  0.29267600  1.0
  Cu  Cu2  1  0.61405200  0.23869200  0.54176200  1.0
  Cu  Cu3  1  0.87215600  0.74338500  0.39969800  1.0
  Cu  Cu4  1  0.30919500  0.61662000  0.20168400  1.0
  Cu  Cu5  1  0.55937800  0.09720100  0.05790100  1.0
  Bi  Bi6  1  0.99398700  0.99692300  0.74976300  1.0
  S  S7  1  0.02547500  0.03306800  0.00068700  1.0
  S  S8  1  0.33028200  0.65659500  0.83798200  1.0
  S  S9  1  0.63398300  0.31534500  0.66389200  1.0
  S  S10  1  0.94427700  0.88873500  0.51159300  1.0
  S  S11  1  0.32325100  0.64739400  0.33253700  1.0
  S  S12  1  0.64300400  0.27275300  0.17082000  1.0