data_MgReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   151.48
_cell_angle_beta   129.02
_cell_angle_gamma   59.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReAu2
_chemical_formula_sum   'Mg1 Re1 Au2'
_cell_volume   68.72
_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
  Mg  Mg2  1  0.0  0.0  0.95  1.0
  Re  Re3  1  0.0  0.46  0.5  1.0
  Au  Au0  1  0.0  0.0  0.89  1.0
  Au  Au1  1  0.41  0.0  0.51  1.0

data_MgReAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.92
_cell_length_c   5.71
_cell_angle_alpha   115.49
_cell_angle_beta   104.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReAu2
_chemical_formula_sum   'Mg1 Re1 Au2'
_cell_volume   68.72
_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
  Mg  Mg0  1  0.05  0.05  0.05  1.0
  Re  Re1  1  0.5  0.96  0.96  1.0
  Au  Au2  1  0.11  0.11  0.11  1.0
  Au  Au3  1  0.9  0.49  0.9  1.0

Mg Re Au Au