# generated using pymatgen
data_NiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81732232
_cell_length_b   5.87774881
_cell_length_c   11.51224167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAs2
_chemical_formula_sum   'Ni8 As16'
_cell_volume   393.63530893
_cell_formula_units_Z   8
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  0.99644900  0.17486800  0.37163000  1
  Ni  Ni1  1  0.49644900  0.32513200  0.62837000  1
  Ni  Ni2  1  0.00355100  0.67486800  0.12837000  1
  Ni  Ni3  1  0.50355100  0.82513200  0.87163000  1
  Ni  Ni4  1  0.00355100  0.82513200  0.62837000  1
  Ni  Ni5  1  0.50355100  0.67486800  0.37163000  1
  Ni  Ni6  1  0.99644900  0.32513200  0.87163000  1
  Ni  Ni7  1  0.49644900  0.17486800  0.12837000  1
  As  As8  1  0.12182100  0.05331200  0.18172900  1
  As  As9  1  0.62182100  0.44668800  0.81827100  1
  As  As10  1  0.87817900  0.55331200  0.31827100  1
  As  As11  1  0.37817900  0.94668800  0.68172900  1
  As  As12  1  0.87817900  0.94668800  0.81827100  1
  As  As13  1  0.37817900  0.55331200  0.18172900  1
  As  As14  1  0.12182100  0.44668800  0.68172900  1
  As  As15  1  0.62182100  0.05331200  0.31827100  1
  As  As16  1  0.36372600  0.30921900  0.43153000  1
  As  As17  1  0.86372600  0.19078100  0.56847000  1
  As  As18  1  0.63627400  0.80921900  0.06847000  1
  As  As19  1  0.13627400  0.69078100  0.93153000  1
  As  As20  1  0.63627400  0.69078100  0.56847000  1
  As  As21  1  0.13627400  0.80921900  0.43153000  1
  As  As22  1  0.36372600  0.19078100  0.93153000  1
  As  As23  1  0.86372600  0.30921900  0.06847000  1
