# generated using pymatgen
data_Cu12Sb4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91852242
_cell_length_b   8.91851153
_cell_length_c   8.91855454
_cell_angle_alpha   109.46895004
_cell_angle_beta   109.46928727
_cell_angle_gamma   109.46939010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu12Sb4S13
_chemical_formula_sum   'Cu12 Sb4 S13'
_cell_volume   546.12267380
_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  0.77695469  0.77695068  0.99999266  1.0
  Cu  Cu1  1  0.00000726  0.22306477  0.22304072  1.0
  Cu  Cu2  1  0.74999595  0.24999685  0.49998794  1.0
  Cu  Cu3  1  0.22302562  0.99997662  0.22305218  1.0
  Cu  Cu4  1  0.00001539  0.77697811  0.77695081  1.0
  Cu  Cu5  1  0.22306098  0.22305882  0.00001937  1.0
  Cu  Cu6  1  0.77693898  -0.00002712  0.77694775  1.0
  Cu  Cu7  1  0.49999482  0.74998927  0.25001187  1.0
  Cu  Cu8  1  0.75001537  0.50002966  0.25001528  1.0
  Cu  Cu9  1  0.25002211  0.50002567  0.75000902  1.0
  Cu  Cu10  1  0.50000474  0.24999632  0.75001290  1.0
  Cu  Cu11  1  0.24999861  0.74999887  0.49999191  1.0
  Sb  Sb12  1  0.00000603  0.45535600  0.00001609  1.0
  Sb  Sb13  1  0.00001949  0.00001349  0.45537129  1.0
  Sb  Sb14  1  0.45536831  0.00001723  0.00000810  1.0
  Sb  Sb15  1  0.54463507  0.54463781  0.54463022  1.0
  S  S16  1  0.51833400  -0.00001099  0.75160355  1.0
  S  S17  1  0.24837536  0.76671111  0.24837859  1.0
  S  S18  1  0.51834350  0.75161761  0.00000546  1.0
  S  S19  1  0.24837670  0.24838306  0.76672047  1.0
  S  S20  1  -0.00000365  0.51833734  0.75161686  1.0
  S  S21  1  0.76671798  0.24838511  0.24837186  1.0
  S  S22  1  0.48165925  0.48165699  0.23327171  1.0
  S  S23  1  0.23327514  0.48165835  0.48165811  1.0
  S  S24  1  0.48164545  0.23326717  0.48164952  1.0
  S  S25  1  0.75160698  0.51833578  -0.00000738  1.0
  S  S26  1  0.75160762  0.99998734  0.51833515  1.0
  S  S27  1  0.00000169  0.75161090  0.51833632  1.0
  S  S28  1  -0.00000043  -0.00000081  0.00000066  1.0