# generated using pymatgen
data_NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47217333
_cell_length_b   5.60627193
_cell_length_c   5.62360268
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.48207472
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP2
_chemical_formula_sum   'Ni4 P8'
_cell_volume   177.62845895
_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  0.75000000  0.75000000  0.50000000  1
  Ni  Ni1  1  0.75000000  0.25000000  -0.00000000  1
  Ni  Ni2  1  0.25000000  0.25000000  0.50000000  1
  Ni  Ni3  1  0.25000000  0.75000000  -0.00000000  1
  P  P4  1  0.80364800  0.38525800  0.66635300  1
  P  P5  1  0.69635200  0.88525800  0.83364700  1
  P  P6  1  0.80364800  0.61474200  0.16635300  1
  P  P7  1  0.69635200  0.11474200  0.33364700  1
  P  P8  1  0.30364800  0.88525800  0.66635300  1
  P  P9  1  0.19635200  0.38525800  0.83364700  1
  P  P10  1  0.30364800  0.11474200  0.16635300  1
  P  P11  1  0.19635200  0.61474200  0.33364700  1
