data_Mg2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   7.67
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Re
_chemical_formula_sum   'Mg4 Re2'
_cell_volume   126.8
_cell_formula_units_Z   2
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  0.3  0.27  0.0  1.0
  Mg  Mg1  1  0.82  0.11  0.32  1.0
  Mg  Mg2  1  0.43  0.56  0.32  1.0
  Mg  Mg3  1  0.94  0.4  0.0  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.12  0.84  0.32  1.0

data_Mg2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   6.25
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Re
_chemical_formula_sum   'Mg4 Re2'
_cell_volume   126.8
_cell_formula_units_Z   2
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  0.3  0.27  1.0
  Mg  Mg1  1  0.0  0.94  0.4  1.0
  Mg  Mg2  1  0.32  0.43  0.56  1.0
  Mg  Mg3  1  0.32  0.82  0.11  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.32  0.12  0.84  1.0

Mg Mg Mg Mg Re Re