# generated using pymatgen
data_NbNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64043296
_cell_length_b   3.53981811
_cell_length_c   12.59803997
_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   251.53381076
_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  0.49047900  0.32836200  1
  Nb  Nb1  1  0.25000000  0.50952100  0.67163800  1
  Nb  Nb2  1  0.75000000  0.99047900  0.17163800  1
  Nb  Nb3  1  0.25000000  0.00952100  0.82836200  1
  Ni  Ni4  1  0.75000000  0.47914600  0.08742400  1
  Ni  Ni5  1  0.25000000  0.52085400  0.91257600  1
  Ni  Ni6  1  0.75000000  0.97914600  0.41257600  1
  Ni  Ni7  1  0.25000000  0.02085400  0.58742400  1
  As  As8  1  0.75000000  0.35446300  0.80981500  1
  As  As9  1  0.25000000  0.64553700  0.19018500  1
  As  As10  1  0.75000000  0.85446300  0.69018500  1
  As  As11  1  0.25000000  0.14553700  0.30981500  1
  As  As12  1  0.75000000  0.30390400  0.53701400  1
  As  As13  1  0.25000000  0.69609600  0.46298600  1
  As  As14  1  0.75000000  0.80390400  0.96298600  1
  As  As15  1  0.25000000  0.19609600  0.03701400  1
