# generated using pymatgen
data_Zn3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65670244
_cell_length_b   3.65670244
_cell_length_c   7.89377078
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Ni
_chemical_formula_sum   'Zn6 Ni2'
_cell_volume   105.55134076
_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
  Zn  Zn0  1  0.00000000  0.50000000  0.25000000  1
  Zn  Zn1  1  0.50000000  0.00000000  0.25000000  1
  Zn  Zn2  1  0.50000000  0.50000000  0.00000000  1
  Zn  Zn3  1  0.50000000  0.00000000  0.75000000  1
  Zn  Zn4  1  0.00000000  0.50000000  0.75000000  1
  Zn  Zn5  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.50000000  1
