# generated using pymatgen
data_Zr2(NiP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.36415726
_cell_length_b   3.62916839
_cell_length_c   10.06028813
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2(NiP)3
_chemical_formula_sum   'Zr8 Ni12 P12'
_cell_volume   451.42131235
_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
  Zr  Zr0  1  0.25000000  0.07459800  0.20898600  1
  Zr  Zr1  1  0.75000000  0.92540200  0.79101400  1
  Zr  Zr2  1  0.75000000  0.57459800  0.29101400  1
  Zr  Zr3  1  0.25000000  0.42540200  0.70898600  1
  Zr  Zr4  1  0.25000000  0.16280400  0.49523700  1
  Zr  Zr5  1  0.75000000  0.83719600  0.50476300  1
  Zr  Zr6  1  0.75000000  0.66280400  0.00476300  1
  Zr  Zr7  1  0.25000000  0.33719600  0.99523700  1
  Ni  Ni8  1  0.25000000  0.72637200  0.66542500  1
  Ni  Ni9  1  0.75000000  0.27362800  0.33457500  1
  Ni  Ni10  1  0.75000000  0.22637200  0.83457500  1
  Ni  Ni11  1  0.25000000  0.77362800  0.16542500  1
  Ni  Ni12  1  0.25000000  0.36485800  0.21764100  1
  Ni  Ni13  1  0.75000000  0.63514200  0.78235900  1
  Ni  Ni14  1  0.75000000  0.86485800  0.28235900  1
  Ni  Ni15  1  0.25000000  0.13514200  0.71764100  1
  Ni  Ni16  1  0.25000000  0.59606900  0.48402200  1
  Ni  Ni17  1  0.75000000  0.40393100  0.51597800  1
  Ni  Ni18  1  0.75000000  0.09606900  0.01597800  1
  Ni  Ni19  1  0.25000000  0.90393100  0.98402200  1
  P  P20  1  0.25000000  0.94625300  0.62855900  1
  P  P21  1  0.75000000  0.05374700  0.37144100  1
  P  P22  1  0.75000000  0.44625300  0.87144100  1
  P  P23  1  0.25000000  0.55374700  0.12855900  1
  P  P24  1  0.25000000  0.39753400  0.39808000  1
  P  P25  1  0.75000000  0.60246600  0.60192000  1
  P  P26  1  0.75000000  0.89753400  0.10192000  1
  P  P27  1  0.25000000  0.10246600  0.89808000  1
  P  P28  1  0.25000000  0.76293400  0.35486100  1
  P  P29  1  0.75000000  0.23706600  0.64513900  1
  P  P30  1  0.75000000  0.26293400  0.14513900  1
  P  P31  1  0.25000000  0.73706600  0.85486100  1
