# generated using pymatgen
data_NiW3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25321100
_cell_length_b   6.17400600
_cell_length_c   7.93979700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW3N
_chemical_formula_sum   'Ni4 W12 N4'
_cell_volume   257.51426452
_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  0.05902900  0.38955700  0.25000000  1.0
  Ni  Ni1  1  0.94097100  0.61044300  0.75000000  1.0
  Ni  Ni2  1  0.55902900  0.11044300  0.75000000  1.0
  Ni  Ni3  1  0.44097000  0.88955700  0.25000000  1.0
  W  W4  1  0.35250600  0.18915600  0.04889800  1.0
  W  W5  1  0.64749400  0.81084400  0.95110200  1.0
  W  W6  1  0.85250600  0.31084400  0.95110200  1.0
  W  W7  1  0.64749400  0.81084400  0.54889800  1.0
  W  W8  1  0.14749400  0.68915600  0.04889800  1.0
  W  W9  1  0.35250600  0.18915600  0.45110200  1.0
  W  W10  1  0.14749400  0.68915600  0.45110200  1.0
  W  W11  1  0.85250600  0.31084400  0.54889800  1.0
  W  W12  1  0.61809800  0.51245100  0.25000000  1.0
  W  W13  1  0.38190200  0.48754900  0.75000000  1.0
  W  W14  1  0.11809800  0.98754900  0.75000000  1.0
  W  W15  1  0.88190200  0.01245100  0.25000000  1.0
  N  N16  1  0.00000000  0.00000000  0.00000000  1.0
  N  N17  1  0.50000000  0.50000000  0.00000000  1.0
  N  N18  1  0.00000000  0.00000000  0.50000000  1.0
  N  N19  1  0.50000000  0.50000000  0.50000000  1.0