# generated using pymatgen
data_NiPW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83520768
_cell_length_b   5.83520768
_cell_length_c   3.78622600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999642
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPW
_chemical_formula_sum   'Ni3 P3 W3'
_cell_volume   111.64770920
_cell_formula_units_Z   3
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  0.74655100  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.00000000  0.74655100  0.00000000  1.0
  Ni  Ni2  1  0.25344900  0.25344900  0.00000000  1.0
  P  P3  1  0.33333300  0.66666700  0.00000000  1.0
  P  P4  1  0.66666700  0.33333300  0.00000000  1.0
  P  P5  1  0.00000000  0.00000000  0.50000000  1.0
  W  W6  1  0.41470500  0.00000000  0.50000000  1.0
  W  W7  1  0.00000000  0.41470500  0.50000000  1.0
  W  W8  1  0.58529500  0.58529500  0.50000000  1.0