# generated using pymatgen
data_NbNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50599139
_cell_length_b   5.61380762
_cell_length_c   12.61710585
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiAs2
_chemical_formula_sum   'Nb4 Ni4 As8'
_cell_volume   248.32938755
_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
  Nb  Nb0  1  0.75000000  0.99106878  0.82902601  1.0
  Nb  Nb1  1  0.25000000  0.00893122  0.17097399  1.0
  Nb  Nb2  1  0.75000000  0.49106878  0.67097399  1.0
  Nb  Nb3  1  0.25000000  0.50893122  0.32902601  1.0
  Ni  Ni4  1  0.75000000  0.97968506  0.58816997  1.0
  Ni  Ni5  1  0.25000000  0.02031494  0.41183003  1.0
  Ni  Ni6  1  0.75000000  0.47968506  0.91183003  1.0
  Ni  Ni7  1  0.25000000  0.52031494  0.08816997  1.0
  As  As8  1  0.75000000  0.85466927  0.30961797  1.0
  As  As9  1  0.25000000  0.14533073  0.69038203  1.0
  As  As10  1  0.75000000  0.35466927  0.19038203  1.0
  As  As11  1  0.25000000  0.64533073  0.80961797  1.0
  As  As12  1  0.75000000  0.80019800  0.03717359  1.0
  As  As13  1  0.25000000  0.19980200  0.96282641  1.0
  As  As14  1  0.75000000  0.30019800  0.46282641  1.0
  As  As15  1  0.25000000  0.69980200  0.53717359  1.0