# generated using pymatgen
data_NiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82411208
_cell_length_b   7.82411208
_cell_length_c   7.82411208
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP3
_chemical_formula_sum   'Ni8 P24'
_cell_volume   478.96655544
_cell_formula_units_Z   8
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  0.25000000  0.25000000  0.75000000  1
  Ni  Ni1  1  0.25000000  0.75000000  0.25000000  1
  Ni  Ni2  1  0.25000000  0.75000000  0.75000000  1
  Ni  Ni3  1  0.75000000  0.75000000  0.75000000  1
  Ni  Ni4  1  0.75000000  0.75000000  0.25000000  1
  Ni  Ni5  1  0.75000000  0.25000000  0.75000000  1
  Ni  Ni6  1  0.75000000  0.25000000  0.25000000  1
  Ni  Ni7  1  0.25000000  0.25000000  0.25000000  1
  P  P8  1  0.64392500  0.85698100  0.00000000  1
  P  P9  1  0.35607500  0.85698100  0.00000000  1
  P  P10  1  0.14392500  0.64301900  0.50000000  1
  P  P11  1  0.14301900  0.00000000  0.35607500  1
  P  P12  1  0.85607500  0.64301900  0.50000000  1
  P  P13  1  0.14301900  0.00000000  0.64392500  1
  P  P14  1  0.00000000  0.35607500  0.85698100  1
  P  P15  1  0.35698100  0.50000000  0.14392500  1
  P  P16  1  0.50000000  0.14392500  0.64301900  1
  P  P17  1  0.35698100  0.50000000  0.85607500  1
  P  P18  1  0.00000000  0.64392500  0.85698100  1
  P  P19  1  0.50000000  0.85607500  0.64301900  1
  P  P20  1  0.14392500  0.35698100  0.50000000  1
  P  P21  1  0.85607500  0.35698100  0.50000000  1
  P  P22  1  0.64392500  0.14301900  0.00000000  1
  P  P23  1  0.64301900  0.50000000  0.85607500  1
  P  P24  1  0.35607500  0.14301900  0.00000000  1
  P  P25  1  0.64301900  0.50000000  0.14392500  1
  P  P26  1  0.50000000  0.85607500  0.35698100  1
  P  P27  1  0.85698100  0.00000000  0.64392500  1
  P  P28  1  0.00000000  0.64392500  0.14301900  1
  P  P29  1  0.85698100  0.00000000  0.35607500  1
  P  P30  1  0.50000000  0.14392500  0.35698100  1
  P  P31  1  0.00000000  0.35607500  0.14301900  1
