data_SrReSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   135.49
_cell_angle_beta   135.49
_cell_angle_gamma   64.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrReSn2
_chemical_formula_sum   'Sr1 Re1 Sn2'
_cell_volume   97.69
_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
  Re  Re0  1  0.22  0.0  0.48  1.0
  Sn  Sn1  1  0.0  0.0  0.95  1.0
  Sn  Sn2  1  0.0  0.22  0.48  1.0

data_SrReSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.86
_cell_angle_alpha   112.25
_cell_angle_beta   112.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrReSn2
_chemical_formula_sum   'Sr1 Re1 Sn2'
_cell_volume   97.69
_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
  Re  Re1  1  0.52  0.0  0.74  1.0
  Sn  Sn2  1  0.05  0.0  0.05  1.0
  Sn  Sn3  1  0.74  0.22  0.74  1.0

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