data_GaFeNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   130.57
_cell_angle_beta   130.57
_cell_angle_gamma   72.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeNi2
_chemical_formula_sum   'Ga1 Fe1 Ni2'
_cell_volume   45.59
_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  Ga1  1  0.0  0.0  0.49  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.81  0.74  1.0
  Ni  Ni3  1  0.81  0.0  0.74  1.0

data_GaFeNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   126.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaFeNi2
_chemical_formula_sum   'Ga2 Fe2 Ni4'
_cell_volume   91.19
_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  0.01  0.5  0.51  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  4  0.16  0.1  0.06  1.0

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