# generated using pymatgen
data_ZrAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88904378
_cell_length_b   6.88904378
_cell_length_c   3.52398360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlNi
_chemical_formula_sum   'Zr3 Al3 Ni3'
_cell_volume   144.83796015
_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
  Zr  Zr0  1  0.59151900  0.00000000  0.50000000  1
  Zr  Zr1  1  0.40848100  0.40848100  0.50000000  1
  Zr  Zr2  1  0.00000000  0.59151900  0.50000000  1
  Al  Al3  1  0.24881800  0.00000000  0.00000000  1
  Al  Al4  1  0.75118200  0.75118200  0.00000000  1
  Al  Al5  1  0.00000000  0.24881800  0.00000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni7  1  0.33333300  0.66666700  0.00000000  1
  Ni  Ni8  1  0.66666700  0.33333300  0.00000000  1
