# generated using pymatgen
data_NbNi3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91929225
_cell_length_b   3.58953761
_cell_length_c   10.41719610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.47112848
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi3P2
_chemical_formula_sum   'Nb3 Ni9 P6'
_cell_volume   221.33212221
_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
  Nb  Nb0  1  0.29582300  0.50000000  0.29522700  1
  Nb  Nb1  1  0.29372700  0.50000000  0.70699700  1
  Nb  Nb2  1  0.79469600  0.50000000  0.20184800  1
  Ni  Ni3  1  0.74374700  0.00000000  0.99546700  1
  Ni  Ni4  1  0.24463700  0.00000000  0.50143700  1
  Ni  Ni5  1  0.63448300  0.00000000  0.63044400  1
  Ni  Ni6  1  0.12608100  0.00000000  0.11724100  1
  Ni  Ni7  1  0.12009200  0.00000000  0.87426300  1
  Ni  Ni8  1  0.63189400  0.00000000  0.38262100  1
  Ni  Ni9  1  0.40054300  0.50000000  0.99668100  1
  Ni  Ni10  1  0.90395100  0.50000000  0.50370900  1
  Ni  Ni11  1  0.80076200  0.50000000  0.79879600  1
  P  P12  1  0.99367100  0.00000000  0.66570700  1
  P  P13  1  0.49466300  0.00000000  0.15790300  1
  P  P14  1  0.50664500  0.00000000  0.83685100  1
  P  P15  1  0.99662100  0.00000000  0.33828100  1
  P  P16  1  0.00533600  0.50000000  0.99322000  1
  P  P17  1  0.51282800  0.50000000  0.50330700  1
