data_GaReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.61
_cell_angle_alpha   98.3
_cell_angle_beta   98.3
_cell_angle_gamma   34.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReNi2
_chemical_formula_sum   'Ga1 Re1 Ni2'
_cell_volume   51.66
_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  0.0  1.0
  Re  Re3  1  0.91  0.0  0.28  1.0
  Ni  Ni1  1  0.61  0.0  0.37  1.0
  Ni  Ni2  1  0.21  0.0  0.19  1.0

data_GaReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.46
_cell_length_c   4.61
_cell_angle_alpha   98.3
_cell_angle_beta   90.0
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReNi2
_chemical_formula_sum   'Ga1 Re1 Ni2'
_cell_volume   51.66
_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  0.0  1.0
  Re  Re1  1  0.0  0.09  0.72  1.0
  Ni  Ni2  1  0.0  0.39  0.63  1.0
  Ni  Ni3  1  0.0  0.79  0.81  1.0

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