# generated using pymatgen
data_Zr3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06441884
_cell_length_b   6.06441884
_cell_length_c   4.89629493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ni
_chemical_formula_sum   'Zr6 Ni2'
_cell_volume   155.94683968
_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  0.82565300  0.65130500  0.75000000  1
  Zr  Zr1  1  0.17434700  0.82565300  0.25000000  1
  Zr  Zr2  1  0.65130500  0.82565300  0.25000000  1
  Zr  Zr3  1  0.17434700  0.34869500  0.25000000  1
  Zr  Zr4  1  0.82565300  0.17434700  0.75000000  1
  Zr  Zr5  1  0.34869500  0.17434700  0.75000000  1
  Ni  Ni6  1  0.66666700  0.33333300  0.25000000  1
  Ni  Ni7  1  0.33333300  0.66666700  0.75000000  1
