data_Mg2ReSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ReSn
_chemical_formula_sum   'Mg2 Re1 Sn1'
_cell_volume   78.42
_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  0.46  0.46  0.62  1.0
  Mg  Mg1  1  0.46  0.46  0.58  1.0
  Re  Re2  1  0.0  0.0  0.6  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_Mg2ReSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2ReSn
_chemical_formula_sum   'Mg4 Re2 Sn2'
_cell_volume   156.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.46  0.0  0.58  1.0
  Mg  Mg1  2  0.46  0.0  0.62  1.0
  Re  Re2  2  0.0  0.0  0.6  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0

Mg Mg Re Sn
Mg Mg Re Sn 0 1 o o o 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 3 3 + o o 3 3 o + o 