data_SrGa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   6.33
_cell_angle_alpha   97.57
_cell_angle_beta   97.57
_cell_angle_gamma   37.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Re
_chemical_formula_sum   'Sr1 Ga2 Re1'
_cell_volume   82.49
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.47  0.0  0.24  1.0
  Ga  Ga1  1  0.47  0.0  0.02  1.0
  Re  Re2  1  0.97  0.0  0.13  1.0

data_SrGa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.65
_cell_length_c   6.33
_cell_angle_alpha   97.57
_cell_angle_beta   90.0
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Re
_chemical_formula_sum   'Sr1 Ga2 Re1'
_cell_volume   82.49
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.53  0.76  1.0
  Ga  Ga2  1  0.0  0.53  0.98  1.0
  Re  Re3  1  0.0  0.03  0.87  1.0

Sr Ga Ga Re
Sr Ga Ga Re 0 3 - o o 1 2 o o o 