data_HoNiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoNiSn
_chemical_formula_sum   'Ho3 Ni3 Sn3'
_cell_volume   177.77
_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
  Ho  Ho0  1  0.47  0.55  0.0  1.0
  Ho  Ho1  1  0.31  0.0  0.0  1.0
  Ho  Ho2  1  0.85  0.73  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.62  0.09  0.95  1.0
  Ni  Ni5  1  0.0  0.18  0.95  1.0
  Sn  Sn6  1  0.68  0.65  0.95  1.0
  Sn  Sn7  1  0.88  0.0  0.95  1.0
  Sn  Sn8  1  0.06  0.63  0.95  1.0

data_HoNiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoNiSn
_chemical_formula_sum   'Ho3 Ni3 Sn3'
_cell_volume   177.77
_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
  Ho  Ho0  1  0.0  0.31  0.0  1.0
  Ho  Ho1  1  0.0  0.47  0.55  1.0
  Ho  Ho2  1  0.0  0.85  0.73  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.95  0.0  0.18  1.0
  Ni  Ni5  1  0.95  0.62  0.09  1.0
  Sn  Sn6  1  0.95  0.06  0.63  1.0
  Sn  Sn7  1  0.95  0.68  0.65  1.0
  Sn  Sn8  1  0.95  0.88  0.0  1.0

Ho Ho Ho Ni Ni Ni Sn Sn Sn
Ho Ho Ho Ni Ni Ni Sn Sn Sn 0 6 o o - 1 8 o - - 1 3 o o o 1 4 o o - 2 6 o o - 2 8 + o - 3 7 - o - 3 5 o o - 4 7 o o o 4 5 + o o 5 7 - o o 