data_Ti4Ga3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Ga3Ni2
_chemical_formula_sum   'Ti4 Ga3 Ni2'
_cell_volume   131.42
_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
  Ti  Ti5  1  0.0  0.0  0.0  1.0
  Ti  Ti6  1  0.35  0.33  0.0  1.0
  Ti  Ti7  1  0.66  0.0  0.0  1.0
  Ti  Ti8  1  0.67  0.04  0.0  1.0
  Ga  Ga0  1  0.52  0.37  0.4  1.0
  Ga  Ga1  1  0.31  0.0  0.4  1.0
  Ga  Ga2  1  0.84  0.0  0.4  1.0
  Ni  Ni3  1  0.0  0.25  0.4  1.0
  Ni  Ni4  1  0.68  0.12  0.4  1.0

data_Ti4Ga3Ni2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Ga3Ni2
_chemical_formula_sum   'Ti4 Ga3 Ni2'
_cell_volume   131.42
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.66  0.0  1.0
  Ti  Ti2  1  0.0  0.67  0.04  1.0
  Ti  Ti3  1  0.0  0.35  0.33  1.0
  Ga  Ga4  1  0.4  0.31  0.0  1.0
  Ga  Ga5  1  0.4  0.52  0.37  1.0
  Ga  Ga6  1  0.4  0.84  0.0  1.0
  Ni  Ni7  1  0.4  0.0  0.25  1.0
  Ni  Ni8  1  0.4  0.68  0.12  1.0

Ti Ti Ti Ti Ga Ga Ga Ni Ni
Ti Ti Ti Ti Ga Ga Ga Ni Ni 0 6 - o o 0 5 o o o 0 5 o o - 1 4 o o o 1 5 o o o 1 5 o o - 2 3 o o o 2 5 o o o 2 6 o o o 2 8 o o o 3 5 o o o 3 5 o o - 3 6 o o o 3 8 o o o 4 5 o o o 5 5 o o + 5 8 o o o 6 8 o o o 6 7 + o o 