# generated using pymatgen
data_CuNi3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05817260
_cell_length_b   8.05817260
_cell_length_c   9.75515096
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi3S8
_chemical_formula_sum   'Cu3 Ni9 S24'
_cell_volume   548.57720442
_cell_formula_units_Z   3
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  0.33333300  0.66666700  0.66666700  1
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu2  1  0.66666700  0.33333300  0.33333300  1
  Ni  Ni3  1  0.83333300  0.16666700  0.66666700  1
  Ni  Ni4  1  0.33333300  0.16666700  0.66666700  1
  Ni  Ni5  1  0.16666700  0.33333300  0.33333300  1
  Ni  Ni6  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni8  1  0.83333300  0.66666700  0.66666700  1
  Ni  Ni9  1  0.16666700  0.83333300  0.33333300  1
  Ni  Ni10  1  0.66666700  0.83333300  0.33333300  1
  Ni  Ni11  1  0.50000000  0.00000000  0.00000000  1
  S  S12  1  0.33333300  0.66666700  0.06033900  1
  S  S13  1  0.35851300  0.42313500  0.53194800  1
  S  S14  1  0.73128900  0.97482100  0.86528100  1
  S  S15  1  0.24353200  0.26871100  0.86528100  1
  S  S16  1  0.00000000  0.00000000  0.60632800  1
  S  S17  1  0.97482100  0.24353200  0.13471900  1
  S  S18  1  0.60204400  0.69184600  0.80138600  1
  S  S19  1  0.08980200  0.39795600  0.80138600  1
  S  S20  1  0.00000000  0.00000000  0.39367200  1
  S  S21  1  0.02517900  0.75646800  0.86528100  1
  S  S22  1  0.39795600  0.30815400  0.19861400  1
  S  S23  1  0.91019800  0.60204400  0.19861400  1
  S  S24  1  0.66666700  0.33333300  0.93966100  1
  S  S25  1  0.64148700  0.57686500  0.46805200  1
  S  S26  1  0.26871100  0.02517900  0.13471900  1
  S  S27  1  0.75646800  0.73128900  0.13471900  1
  S  S28  1  0.66666700  0.33333300  0.72700500  1
  S  S29  1  0.69184600  0.08980200  0.19861400  1
  S  S30  1  0.06462200  0.64148700  0.53194800  1
  S  S31  1  0.57686500  0.93537800  0.53194800  1
  S  S32  1  0.33333300  0.66666700  0.27299500  1
  S  S33  1  0.30815400  0.91019800  0.80138600  1
  S  S34  1  0.93537800  0.35851300  0.46805200  1
  S  S35  1  0.42313500  0.06462200  0.46805200  1
