# generated using pymatgen
data_Cu12As4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77392900
_cell_length_b   8.78224643
_cell_length_c   8.87073282
_cell_angle_alpha   109.49180407
_cell_angle_beta   109.47655788
_cell_angle_gamma   108.99054206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu12As4S13
_chemical_formula_sum   'Cu12 As4 S13'
_cell_volume   529.10631943
_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  0.75009900  0.49951600  0.24896200  1.0
  Cu  Cu1  1  0.74977200  0.25064600  0.49931500  1.0
  Cu  Cu2  1  0.49960900  0.24981100  0.74982900  1.0
  Cu  Cu3  1  0.25124300  0.75087500  0.50146700  1.0
  Cu  Cu4  1  0.24836000  0.49895900  0.75017500  1.0
  Cu  Cu5  1  0.49966600  0.74979200  0.24996000  1.0
  Cu  Cu6  1  0.20187700  0.96242700  0.20271400  1.0
  Cu  Cu7  1  0.75873600  0.79815000  0.00182700  1.0
  Cu  Cu8  1  0.04371200  0.24229200  0.24132900  1.0
  Cu  Cu9  1  0.79918900  0.99424900  0.75572100  1.0
  Cu  Cu10  1  0.23750600  0.24070100  0.04134700  1.0
  Cu  Cu11  1  0.99791900  0.80096400  0.75720500  1.0
  As  As12  1  0.99733000  0.99754500  0.52467200  1.0
  As  As13  1  0.00261300  0.52840600  0.00274500  1.0
  As  As14  1  0.47255900  0.47509500  0.47284000  1.0
  As  As15  1  0.52534200  0.99675600  0.99985900  1.0
  S  S16  1  0.47925000  0.99926200  0.24051500  1.0
  S  S17  1  0.52089100  0.52329100  0.76153700  1.0
  S  S18  1  0.00365500  0.48199000  0.24294900  1.0
  S  S19  1  0.52118800  0.76229100  0.51814100  1.0
  S  S20  1  0.48003200  0.24138400  0.00181400  1.0
  S  S21  1  0.00272500  0.24225000  0.47976700  1.0
  S  S22  1  0.76253500  0.23893800  0.75927200  1.0
  S  S23  1  0.75827600  0.75988000  0.23813300  1.0
  S  S24  1  0.23811500  0.76039000  0.75820000  1.0
  S  S25  1  0.24076700  0.99921600  0.47874800  1.0
  S  S26  1  0.24346000  0.48162800  0.00196000  1.0
  S  S27  1  0.76174500  0.52218200  0.51849900  1.0
  S  S28  1  0.99823100  0.99751100  0.00049900  1.0