# generated using pymatgen
data_NiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56413788
_cell_length_b   4.74225463
_cell_length_c   5.76582468
_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   'Ni2 As4'
_cell_volume   97.45425336
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni1  1  -0.00000000  0.00000000  -0.00000000  1.0
  As  As2  1  0.50000000  0.70475833  0.12964191  1.0
  As  As3  1  0.50000000  0.29524167  0.87035809  1.0
  As  As4  1  -0.00000000  0.79524167  0.62964191  1.0
  As  As5  1  0.00000000  0.20475833  0.37035809  1.0