data_GaNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   129.83
_cell_angle_beta   129.83
_cell_angle_gamma   73.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi3
_chemical_formula_sum   'Ga1 Ni3'
_cell_volume   45.72
_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
  Ga  Ga0  1  0.0  0.0  0.44  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.82  0.0  0.72  1.0
  Ni  Ni3  1  0.0  0.82  0.72  1.0

data_GaNi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   126.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaNi3
_chemical_formula_sum   'Ga2 Ni6'
_cell_volume   91.43
_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
  Ga  Ga0  2  0.06  0.5  0.56  1.0
  Ni  Ni1  4  0.19  0.09  0.1  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Ga Ni Ni Ni
Ga Ni Ni Ni 0 2 - o o 0 3 o - o 0 1 o o o 1 2 - o - 1 3 o - - 2 3 + - o 