data_GaNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi3
_chemical_formula_sum   'Ga2 Ni6'
_cell_volume   91.66
_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
  Ga  Ga0  1  0.54  0.47  0.07  1.0
  Ga  Ga1  1  0.0  0.94  0.02  1.0
  Ni  Ni2  1  0.26  0.73  0.02  1.0
  Ni  Ni3  1  0.83  0.73  0.02  1.0
  Ni  Ni4  1  0.54  0.96  0.02  1.0
  Ni  Ni5  1  0.29  0.68  0.07  1.0
  Ni  Ni6  1  0.71  0.68  0.07  1.0
  Ni  Ni7  1  0.0  0.45  0.07  1.0

data_GaNi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaNi3
_chemical_formula_sum   'Ga2 Ni6'
_cell_volume   91.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ga  Ga0  2  0.02  0.27  0.27  1.0
  Ni  Ni1  2  0.02  0.02  0.48  1.0
  Ni  Ni2  2  0.02  0.44  0.48  1.0
  Ni  Ni3  2  0.02  0.73  0.25  1.0

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