data_HfInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInNi2
_chemical_formula_sum   'Hf1 In1 Ni2'
_cell_volume   63.09
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.22  0.22  0.0  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.22  0.6  1.0
  Ni  Ni3  1  0.22  0.0  0.6  1.0

data_HfInNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfInNi2
_chemical_formula_sum   'Hf2 In2 Ni4'
_cell_volume   126.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.22  0.0  -0.0  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  4  0.11  0.11  0.6  1.0

Hf In Ni Ni
Hf In Ni Ni 0 1 o o o 0 2 o o - 0 3 o o - 1 3 o o - 1 2 o o - 2 3 o o o 