data_ReSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.33
_cell_angle_alpha   91.25
_cell_angle_beta   91.25
_cell_angle_gamma   98.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSn2Au
_chemical_formula_sum   'Re1 Sn2 Au1'
_cell_volume   77.14
_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
  Re  Re1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.53  0.83  0.66  1.0
  Sn  Sn3  1  0.53  0.17  0.66  1.0
  Au  Au0  1  0.16  0.0  0.0  1.0

data_ReSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   98.36
_cell_angle_beta   91.25
_cell_angle_gamma   91.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSn2Au
_chemical_formula_sum   'Re1 Sn2 Au1'
_cell_volume   77.14
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.66  0.53  0.17  1.0
  Sn  Sn2  1  0.66  0.53  0.83  1.0
  Au  Au3  1  0.0  0.16  0.0  1.0

Re Sn Sn Au