# generated using pymatgen
data_NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93418070
_cell_length_b   17.04046702
_cell_length_c   5.92782616
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP
_chemical_formula_sum   'Ni20 P20'
_cell_volume   498.41603081
_cell_formula_units_Z   20
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  0.53029400  0.19398000  0.33699000  1
  Ni  Ni1  1  0.03029400  0.30602000  0.16301000  1
  Ni  Ni2  1  0.46970600  0.80602000  0.83699000  1
  Ni  Ni3  1  0.96970600  0.69398000  0.66301000  1
  Ni  Ni4  1  0.46970600  0.80602000  0.66301000  1
  Ni  Ni5  1  0.96970600  0.69398000  0.83699000  1
  Ni  Ni6  1  0.53029400  0.19398000  0.16301000  1
  Ni  Ni7  1  0.03029400  0.30602000  0.33699000  1
  Ni  Ni8  1  0.99841500  0.30145900  0.75000000  1
  Ni  Ni9  1  0.49841500  0.19854100  0.75000000  1
  Ni  Ni10  1  0.00158500  0.69854100  0.25000000  1
  Ni  Ni11  1  0.50158500  0.80145900  0.25000000  1
  Ni  Ni12  1  0.98283000  0.19196700  0.95926600  1
  Ni  Ni13  1  0.48283000  0.30803300  0.54073400  1
  Ni  Ni14  1  0.01717000  0.80803300  0.45926600  1
  Ni  Ni15  1  0.51717000  0.69196700  0.04073400  1
  Ni  Ni16  1  0.01717000  0.80803300  0.04073400  1
  Ni  Ni17  1  0.51717000  0.69196700  0.45926600  1
  Ni  Ni18  1  0.98283000  0.19196700  0.54073400  1
  Ni  Ni19  1  0.48283000  0.30803300  0.95926600  1
  P  P20  1  0.82878800  0.55657000  0.95468200  1
  P  P21  1  0.32878800  0.94343000  0.54531800  1
  P  P22  1  0.17121200  0.44343000  0.45468200  1
  P  P23  1  0.67121200  0.05657000  0.04531800  1
  P  P24  1  0.17121200  0.44343000  0.04531800  1
  P  P25  1  0.67121200  0.05657000  0.45468200  1
  P  P26  1  0.82878800  0.55657000  0.54531800  1
  P  P27  1  0.32878800  0.94343000  0.95468200  1
  P  P28  1  0.80231500  0.06284900  0.84659600  1
  P  P29  1  0.30231500  0.43715100  0.65340400  1
  P  P30  1  0.19768500  0.93715100  0.34659600  1
  P  P31  1  0.69768500  0.56284900  0.15340400  1
  P  P32  1  0.19768500  0.93715100  0.15340400  1
  P  P33  1  0.69768500  0.56284900  0.34659600  1
  P  P34  1  0.80231500  0.06284900  0.65340400  1
  P  P35  1  0.30231500  0.43715100  0.84659600  1
  P  P36  1  0.83907000  0.06284500  0.25000000  1
  P  P37  1  0.33907000  0.43715500  0.25000000  1
  P  P38  1  0.16093000  0.93715500  0.75000000  1
  P  P39  1  0.66093000  0.56284500  0.75000000  1
