# generated using pymatgen
data_Cu12Sb3AsS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57436822
_cell_length_b   6.57436822
_cell_length_c   15.27552200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.11719854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu12Sb3AsS16
_chemical_formula_sum   'Cu12 Sb3 As1 S16'
_cell_volume   623.83146259
_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  0.00050800  0.99949200  0.00000000  1.0
  Cu  Cu1  1  0.49961500  0.50038400  0.74832200  1.0
  Cu  Cu2  1  0.00311500  0.99688500  0.50000000  1.0
  Cu  Cu3  1  0.49961500  0.50038400  0.25167800  1.0
  Cu  Cu4  1  0.99988900  0.50022500  0.87497700  1.0
  Cu  Cu5  1  0.49725400  0.99741800  0.62336900  1.0
  Cu  Cu6  1  0.00258200  0.50274600  0.37663100  1.0
  Cu  Cu7  1  0.49977500  0.00011100  0.12502300  1.0
  Cu  Cu8  1  0.49977500  0.00011100  0.87497700  1.0
  Cu  Cu9  1  0.00258200  0.50274600  0.62336900  1.0
  Cu  Cu10  1  0.49725400  0.99741800  0.37663100  1.0
  Cu  Cu11  1  0.99988900  0.50022500  0.12502300  1.0
  Sb  Sb12  1  0.99999200  0.00000800  0.25034200  1.0
  Sb  Sb13  1  0.50014100  0.49985900  0.00000000  1.0
  Sb  Sb14  1  0.99999200  0.00000800  0.74965800  1.0
  As  As15  1  0.50003400  0.49996600  0.50000000  1.0
  S  S16  1  0.86660900  0.13339100  0.61809900  1.0
  S  S17  1  0.37281800  0.62718200  0.37601300  1.0
  S  S18  1  0.86661700  0.13338300  0.11785600  1.0
  S  S19  1  0.36646200  0.63353800  0.86708600  1.0
  S  S20  1  0.86660900  0.13339100  0.38190100  1.0
  S  S21  1  0.36646200  0.63353800  0.13291400  1.0
  S  S22  1  0.86661700  0.13338300  0.88214400  1.0
  S  S23  1  0.37281800  0.62718200  0.62398700  1.0
  S  S24  1  0.86920600  0.60172100  0.25052000  1.0
  S  S25  1  0.36820400  0.10114300  0.00000000  1.0
  S  S26  1  0.86920600  0.60172100  0.74948000  1.0
  S  S27  1  0.37489900  0.12395700  0.50000000  1.0
  S  S28  1  0.39827900  0.13079400  0.25052000  1.0
  S  S29  1  0.89885700  0.63179600  0.00000000  1.0
  S  S30  1  0.39827900  0.13079400  0.74948000  1.0
  S  S31  1  0.87604300  0.62510100  0.50000000  1.0