data_Ga2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   137.53
_cell_angle_beta   137.53
_cell_angle_gamma   61.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReRh
_chemical_formula_sum   'Ga2 Re1 Rh1'
_cell_volume   58.83
_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  0.84  0.18  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.84  0.0  0.18  1.0
  Rh  Rh3  1  0.0  0.0  0.36  1.0

data_Ga2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.07
_cell_angle_alpha   111.23
_cell_angle_beta   111.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReRh
_chemical_formula_sum   'Ga2 Re1 Rh1'
_cell_volume   58.83
_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
  Ga  Ga1  1  0.34  0.18  0.34  1.0
  Re  Re2  1  0.18  0.34  0.34  1.0
  Rh  Rh3  1  0.36  0.36  0.36  1.0

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