# generated using pymatgen
data_NiAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67427795
_cell_length_b   5.67427795
_cell_length_c   5.67427898
_cell_angle_alpha   89.99987106
_cell_angle_beta   89.99993356
_cell_angle_gamma   90.00006644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAsS
_chemical_formula_sum   'Ni4 As4 S4'
_cell_volume   182.69720170
_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  0.49498283  0.50501571  0.00502426  1.0
  Ni  Ni1  1  0.50502082  0.00502182  0.49497818  1.0
  Ni  Ni2  1  0.99497674  0.99498283  0.99498429  1.0
  Ni  Ni3  1  0.00501671  0.49497674  0.50501617  1.0
  As  As4  1  0.38097245  0.11902967  0.88096646  1.0
  As  As5  1  0.88096559  0.38096559  0.11903541  1.0
  As  As6  1  0.61902967  0.61903354  0.61902755  1.0
  As  As7  1  0.11903354  0.88097145  0.38097033  1.0
  S  S8  1  0.61478195  0.88521990  0.11478715  1.0
  S  S9  1  0.11478695  0.61478695  0.88521205  1.0
  S  S10  1  0.88521285  0.11478195  0.61478010  1.0
  S  S11  1  0.38521990  0.38521285  0.38521805  1.0