# generated using pymatgen
data_Cu9Sb(AsS6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.46345262
_cell_length_b   16.46345262
_cell_length_c   16.46345262
_cell_angle_alpha   161.31292341
_cell_angle_beta   161.31292341
_cell_angle_gamma   26.54737211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu9Sb(AsS6)2
_chemical_formula_sum   'Cu9 Sb1 As2 S12'
_cell_volume   457.91698705
_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  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.91446800  0.41446800  0.50000000  1.0
  Cu  Cu2  1  0.58553200  0.08553200  0.50000000  1.0
  Cu  Cu3  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu4  1  0.41446800  0.91446800  0.50000000  1.0
  Cu  Cu5  1  0.08553200  0.58553200  0.50000000  1.0
  Cu  Cu6  1  0.16733400  0.16733400  0.00000000  1.0
  Cu  Cu7  1  0.83266600  0.83266600  0.00000000  1.0
  Cu  Cu8  1  0.50000000  0.50000000  0.00000000  1.0
  Sb  Sb9  1  0.00000000  0.00000000  0.00000000  1.0
  As  As10  1  0.66730500  0.66730500  0.00000000  1.0
  As  As11  1  0.33269500  0.33269500  0.00000000  1.0
  S  S12  1  0.46047900  0.95793400  0.00000000  1.0
  S  S13  1  0.12333000  0.62526800  0.00000000  1.0
  S  S14  1  0.78237600  0.30789900  0.00000000  1.0
  S  S15  1  0.95793400  0.46047900  0.00000000  1.0
  S  S16  1  0.62526800  0.12333000  0.00000000  1.0
  S  S17  1  0.30789900  0.78237600  0.00000000  1.0
  S  S18  1  0.53952100  0.53952100  0.49745500  1.0
  S  S19  1  0.21762400  0.21762400  0.52552200  1.0
  S  S20  1  0.87667000  0.87667000  0.50193800  1.0
  S  S21  1  0.04206600  0.04206600  0.50254500  1.0
  S  S22  1  0.69210100  0.69210100  0.47447800  1.0
  S  S23  1  0.37473200  0.37473200  0.49806200  1.0