data_Ga2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.15
_cell_angle_alpha   104.71
_cell_angle_beta   104.71
_cell_angle_gamma   118.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReSi
_chemical_formula_sum   'Ga2 Re1 Si1'
_cell_volume   61.64
_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  0.51  0.18  0.37  1.0
  Ga  Ga1  1  0.51  0.82  0.37  1.0
  Re  Re2  1  0.59  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Ga2ReSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.52
_cell_length_c   5.07
_cell_angle_alpha   114.0
_cell_angle_beta   104.71
_cell_angle_gamma   97.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReSi
_chemical_formula_sum   'Ga2 Re1 Si1'
_cell_volume   61.64
_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  0.18  0.82  0.33  1.0
  Ga  Ga1  1  0.55  0.18  0.69  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.59  1.0

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