# generated using pymatgen
data_ZnCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59441742
_cell_length_b   2.59441742
_cell_length_c   24.72004678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Ni
_chemical_formula_sum   'Zn3 Cu6 Ni3'
_cell_volume   144.09855420
_cell_formula_units_Z   3
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  0.33333300  0.66666700  0.41474700  1
  Zn  Zn1  1  0.00000000  0.00000000  0.74808100  1
  Zn  Zn2  1  0.66666700  0.33333300  0.08141400  1
  Cu  Cu3  1  0.00000000  0.00000000  0.50111900  1
  Cu  Cu4  1  0.66666700  0.33333300  0.58456200  1
  Cu  Cu5  1  0.66666700  0.33333300  0.83445300  1
  Cu  Cu6  1  0.33333300  0.66666700  0.91789600  1
  Cu  Cu7  1  0.33333300  0.66666700  0.16778600  1
  Cu  Cu8  1  0.00000000  0.00000000  0.25122900  1
  Ni  Ni9  1  0.33333300  0.66666700  0.66623700  1
  Ni  Ni10  1  0.00000000  0.00000000  0.99957100  1
  Ni  Ni11  1  0.66666700  0.33333300  0.33290400  1
