data_Mg5Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Re
_chemical_formula_sum   'Mg5 Re1'
_cell_volume   126.03
_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  0.36  0.35  0.46  1.0
  Mg  Mg1  1  0.72  0.57  0.0  1.0
  Mg  Mg2  1  0.64  0.35  0.46  1.0
  Mg  Mg3  1  0.72  0.0  0.46  1.0
  Mg  Mg4  1  0.0  0.14  0.0  1.0
  Re  Re5  1  0.0  0.0  0.0  1.0

data_Mg5Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Re
_chemical_formula_sum   'Mg5 Re1'
_cell_volume   126.03
_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  -0.0  0.0  0.14  1.0
  Mg  Mg1  1  0.0  0.72  0.57  1.0
  Mg  Mg2  1  0.46  0.36  0.35  1.0
  Mg  Mg3  1  0.46  0.64  0.35  1.0
  Mg  Mg4  1  0.46  0.72  0.0  1.0
  Re  Re5  1  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Mg Re