data_GaReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   4.18
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReNi2
_chemical_formula_sum   'Ga1 Re1 Ni2'
_cell_volume   50.74
_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  0.31  0.0  0.87  1.0
  Re  Re3  1  0.31  0.09  0.55  1.0
  Ni  Ni1  1  0.0  0.09  0.21  1.0
  Ni  Ni2  1  0.0  0.0  0.32  1.0

data_GaReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.18
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReNi2
_chemical_formula_sum   'Ga1 Re1 Ni2'
_cell_volume   50.74
_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  0.31  0.0  0.87  1.0
  Re  Re1  1  0.31  0.09  0.55  1.0
  Ni  Ni2  1  -0.0  0.09  0.21  1.0
  Ni  Ni3  1  0.0  0.0  0.32  1.0

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