data_MgRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   153.83
_cell_angle_beta   153.83
_cell_angle_gamma   37.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2
_chemical_formula_sum   'Mg2 Re4'
_cell_volume   115.67
_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  0.9  0.99  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.9  0.0  0.26  1.0
  Re  Re3  1  0.0  0.0  0.69  1.0
  Re  Re4  1  0.9  0.0  0.71  1.0
  Re  Re5  1  0.0  0.0  0.25  1.0

data_MgRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   8.41
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2
_chemical_formula_sum   'Mg2 Re4'
_cell_volume   115.67
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.92  0.9  0.92  1.0
  Re  Re2  1  0.29  0.0  0.2  1.0
  Re  Re3  1  0.31  0.0  0.31  1.0
  Re  Re4  1  0.74  0.0  0.64  1.0
  Re  Re5  1  0.75  0.0  0.75  1.0

Mg Mg Re Re Re Re