data_ZrAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlNi
_chemical_formula_sum   'Zr2 Al2 Ni2'
_cell_volume   96.02
_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  Zr4  1  0.24  0.29  0.38  1.0
  Zr  Zr5  1  0.0  0.59  0.15  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.76  1.0
  Ni  Ni2  1  0.24  0.29  0.15  1.0
  Ni  Ni3  1  0.0  0.59  0.38  1.0

data_ZrAlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlNi
_chemical_formula_sum   'Zr2 Al2 Ni2'
_cell_volume   96.02
_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  0.0  0.59  0.15  1.0
  Zr  Zr1  1  0.24  0.29  0.38  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.0  0.0  0.76  1.0
  Ni  Ni4  1  0.0  0.59  0.38  1.0
  Ni  Ni5  1  0.24  0.29  0.15  1.0

Zr Zr Al Al Ni Ni
Zr Zr Al Al Ni Ni 0 4 o o o 1 5 o o o 2 3 o o - 2 4 o o o 