# generated using pymatgen
data_CuS4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22654700
_cell_length_b   8.53380800
_cell_length_c   12.52634700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS4N
_chemical_formula_sum   'Cu4 S16 N4'
_cell_volume   558.70449559
_cell_formula_units_Z   4
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  0.97780500  0.64227300  0.06954300  1.0
  Cu  Cu1  1  0.52219500  0.35772700  0.56954300  1.0
  Cu  Cu2  1  0.47780500  0.85772700  0.93045700  1.0
  Cu  Cu3  1  0.02219500  0.14227300  0.43045700  1.0
  S  S4  1  0.62378500  0.80003900  0.09905800  1.0
  S  S5  1  0.87621500  0.19996100  0.59905800  1.0
  S  S6  1  0.12378500  0.69996100  0.90094200  1.0
  S  S7  1  0.37621500  0.30003900  0.40094200  1.0
  S  S8  1  0.36606200  0.64834300  0.16119700  1.0
  S  S9  1  0.13393800  0.35165700  0.66119700  1.0
  S  S10  1  0.86606200  0.85165700  0.83880300  1.0
  S  S11  1  0.63393800  0.14834300  0.33880300  1.0
  S  S12  1  0.45698900  0.41738500  0.09883900  1.0
  S  S13  1  0.04301100  0.58261500  0.59883900  1.0
  S  S14  1  0.95698900  0.08261500  0.90116100  1.0
  S  S15  1  0.54301100  0.91738500  0.40116100  1.0
  S  S16  1  0.83325100  0.39951500  0.09780100  1.0
  S  S17  1  0.66674900  0.60048500  0.59780100  1.0
  S  S18  1  0.33325100  0.10048500  0.90219900  1.0
  S  S19  1  0.16674900  0.89951500  0.40219900  1.0
  N  N20  1  0.84411900  0.56632800  0.33995600  1.0
  N  N21  1  0.65588100  0.43367200  0.83995600  1.0
  N  N22  1  0.34411900  0.93367200  0.66004400  1.0
  N  N23  1  0.15588100  0.06632800  0.16004400  1.0