data_SrRe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.93
_cell_angle_alpha   99.37
_cell_angle_beta   99.37
_cell_angle_gamma   42.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRe2Au
_chemical_formula_sum   'Sr1 Re2 Au1'
_cell_volume   90.76
_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  0.48  0.0  0.46  1.0
  Re  Re1  1  0.04  0.0  0.53  1.0
  Re  Re2  1  0.24  0.0  0.75  1.0
  Au  Au0  1  0.8  0.0  0.31  1.0

data_SrRe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.42
_cell_length_c   6.93
_cell_angle_alpha   99.37
_cell_angle_beta   90.0
_cell_angle_gamma   111.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRe2Au
_chemical_formula_sum   'Sr1 Re2 Au1'
_cell_volume   90.76
_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  0.52  0.54  1.0
  Re  Re1  1  0.0  0.76  0.25  1.0
  Re  Re2  1  0.0  0.96  0.47  1.0
  Au  Au3  1  0.0  0.2  0.69  1.0

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