# generated using pymatgen
data_Zr2NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77655881
_cell_length_b   3.77655881
_cell_length_c   13.12889108
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NiP2
_chemical_formula_sum   'Zr4 Ni2 P4'
_cell_volume   162.16278009
_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  0.33333300  0.66666700  0.39039200  1
  Zr  Zr1  1  0.66666700  0.33333300  0.60960800  1
  Zr  Zr2  1  0.66666700  0.33333300  0.89039200  1
  Zr  Zr3  1  0.33333300  0.66666700  0.10960800  1
  Ni  Ni4  1  0.00000000  0.00000000  0.25000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.75000000  1
  P  P6  1  0.00000000  0.00000000  0.50000000  1
  P  P7  1  0.00000000  0.00000000  0.00000000  1
  P  P8  1  0.33333300  0.66666700  0.75000000  1
  P  P9  1  0.66666700  0.33333300  0.25000000  1
