# generated using pymatgen
data_NiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78725283
_cell_length_b   5.78725283
_cell_length_c   5.78725283
_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   'Ni4 As8'
_cell_volume   193.82838086
_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  0.00000000  0.00000000  1
  Ni  Ni1  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni2  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni3  1  0.00000000  0.50000000  0.50000000  1
  As  As4  1  0.37665100  0.37665100  0.37665100  1
  As  As5  1  0.12334900  0.62334900  0.87665100  1
  As  As6  1  0.87665100  0.12334900  0.62334900  1
  As  As7  1  0.62334900  0.87665100  0.12334900  1
  As  As8  1  0.62334900  0.62334900  0.62334900  1
  As  As9  1  0.87665100  0.37665100  0.12334900  1
  As  As10  1  0.12334900  0.87665100  0.37665100  1
  As  As11  1  0.37665100  0.12334900  0.87665100  1
