# generated using pymatgen
data_Zr9(NiP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.06831791
_cell_length_b   12.06831791
_cell_length_c   3.70537906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr9(NiP2)2
_chemical_formula_sum   'Zr18 Ni4 P8'
_cell_volume   539.66732897
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr1  1  0.50000000  0.50000000  0.00000000  1
  Zr  Zr2  1  0.10247300  0.18117000  0.50000000  1
  Zr  Zr3  1  0.18117000  0.89752700  0.50000000  1
  Zr  Zr4  1  0.81883000  0.10247300  0.50000000  1
  Zr  Zr5  1  0.89752700  0.81883000  0.50000000  1
  Zr  Zr6  1  0.39752700  0.68117000  0.50000000  1
  Zr  Zr7  1  0.60247300  0.31883000  0.50000000  1
  Zr  Zr8  1  0.68117000  0.60247300  0.50000000  1
  Zr  Zr9  1  0.31883000  0.39752700  0.50000000  1
  Zr  Zr10  1  0.09572600  0.40427400  0.00000000  1
  Zr  Zr11  1  0.40427400  0.90427400  0.00000000  1
  Zr  Zr12  1  0.59572600  0.09572600  0.00000000  1
  Zr  Zr13  1  0.90427400  0.59572600  0.00000000  1
  Zr  Zr14  1  0.38041700  0.11958300  0.50000000  1
  Zr  Zr15  1  0.11958300  0.61958300  0.50000000  1
  Zr  Zr16  1  0.88041700  0.38041700  0.50000000  1
  Zr  Zr17  1  0.61958300  0.88041700  0.50000000  1
  Ni  Ni18  1  0.25384900  0.24615100  0.00000000  1
  Ni  Ni19  1  0.24615100  0.74615100  0.00000000  1
  Ni  Ni20  1  0.75384900  0.25384900  0.00000000  1
  Ni  Ni21  1  0.74615100  0.75384900  0.00000000  1
  P  P22  1  0.22438100  0.05668000  0.00000000  1
  P  P23  1  0.05668000  0.77561900  0.00000000  1
  P  P24  1  0.94332000  0.22438100  0.00000000  1
  P  P25  1  0.77561900  0.94332000  0.00000000  1
  P  P26  1  0.27561900  0.55668000  0.00000000  1
  P  P27  1  0.72438100  0.44332000  0.00000000  1
  P  P28  1  0.55668000  0.72438100  0.00000000  1
  P  P29  1  0.44332000  0.27561900  0.00000000  1
