# generated using pymatgen
data_Cu9S16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61751621
_cell_length_b   3.61751648
_cell_length_c   57.16522513
_cell_angle_alpha   59.58536254
_cell_angle_beta   59.58536039
_cell_angle_gamma   60.00000371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu9S16
_chemical_formula_sum   'Cu9 S16'
_cell_volume   525.63887532
_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  0.49942600  0.49942600  0.09385800  1.0
  Cu  Cu1  1  0.24761700  0.24761700  0.51607200  1.0
  Cu  Cu2  1  0.75675800  0.75675800  0.60810800  1.0
  Cu  Cu3  1  0.74865900  0.74865900  0.67212600  1.0
  Cu  Cu4  1  0.74839400  0.74839400  0.73467600  1.0
  Cu  Cu5  1  0.74839200  0.74839200  0.79717600  1.0
  Cu  Cu6  1  0.74864300  0.74864300  0.85962900  1.0
  Cu  Cu7  1  0.74878700  0.74878700  0.92210200  1.0
  Cu  Cu8  1  0.74331700  0.74331700  0.98562800  1.0
  S  S9  1  0.99594100  0.99594100  0.00076100  1.0
  S  S10  1  0.97034100  0.97034100  0.06806100  1.0
  S  S11  1  0.02603300  0.02603300  0.12011900  1.0
  S  S12  1  0.99324900  0.99324900  0.18876600  1.0
  S  S13  1  0.99908300  0.99908300  0.25017200  1.0
  S  S14  1  0.99845300  0.99845300  0.37529000  1.0
  S  S15  1  0.00909300  0.00909300  0.43579500  1.0
  S  S16  1  0.00178500  0.00178500  0.31216500  1.0
  S  S17  1  0.00429900  0.00429900  0.49919400  1.0
  S  S18  1  0.00218700  0.00218700  0.56209000  1.0
  S  S19  1  0.00202100  0.00202100  0.68712100  1.0
  S  S20  1  0.00155400  0.00155400  0.74970900  1.0
  S  S21  1  0.00370600  0.00370600  0.62430500  1.0
  S  S22  1  0.00198300  0.00198300  0.81212800  1.0
  S  S23  1  0.00105300  0.00105300  0.87480300  1.0
  S  S24  1  0.99922400  0.99922400  0.93764500  1.0