# generated using pymatgen
data_Ni3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21404436
_cell_length_b   11.09415013
_cell_length_c   6.84835491
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3S2
_chemical_formula_sum   'Ni12 S8'
_cell_volume   244.19241186
_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
  Ni  Ni0  1  0.00000000  0.53794800  0.25000000  1
  Ni  Ni1  1  0.50000000  0.96205200  0.75000000  1
  Ni  Ni2  1  0.50000000  0.83465800  0.43397400  1
  Ni  Ni3  1  0.00000000  0.66534200  0.56602600  1
  Ni  Ni4  1  0.50000000  0.83465800  0.06602600  1
  Ni  Ni5  1  0.00000000  0.66534200  0.93397400  1
  Ni  Ni6  1  0.50000000  0.03794800  0.25000000  1
  Ni  Ni7  1  0.00000000  0.46205200  0.75000000  1
  Ni  Ni8  1  0.00000000  0.33465800  0.43397400  1
  Ni  Ni9  1  0.50000000  0.16534200  0.56602600  1
  Ni  Ni10  1  0.00000000  0.33465800  0.06602600  1
  Ni  Ni11  1  0.50000000  0.16534200  0.93397400  1
  S  S12  1  0.50000000  0.50000000  0.00000000  1
  S  S13  1  0.00000000  0.73977300  0.25000000  1
  S  S14  1  0.50000000  0.76022700  0.75000000  1
  S  S15  1  0.50000000  0.50000000  0.50000000  1
  S  S16  1  0.00000000  0.00000000  0.00000000  1
  S  S17  1  0.50000000  0.23977300  0.25000000  1
  S  S18  1  0.00000000  0.26022700  0.75000000  1
  S  S19  1  0.00000000  0.00000000  0.50000000  1
