data_Ga2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReSi
_chemical_formula_sum   'Ga2 Re1 Si1'
_cell_volume   58.74
_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  0.65  0.65  0.03  1.0
  Ga  Ga1  1  0.0  0.0  0.31  1.0
  Re  Re2  1  0.65  0.65  0.81  1.0
  Si  Si3  1  0.0  0.0  0.95  1.0

data_Ga2ReSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2ReSi
_chemical_formula_sum   'Ga4 Re2 Si2'
_cell_volume   117.49
_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  0.0  0.0  0.31  1.0
  Ga  Ga1  2  0.15  0.5  0.03  1.0
  Si  Si2  2  0.0  0.0  0.95  1.0
  Re  Re3  2  0.15  0.5  0.81  1.0

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