data_Mg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   4.71
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sn
_chemical_formula_sum   'Mg8 Sn4'
_cell_volume   281.45
_cell_formula_units_Z   4
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  0.69  0.18  0.52  1.0
  Mg  Mg1  1  0.91  0.53  0.19  1.0
  Mg  Mg2  1  0.49  0.18  0.14  1.0
  Mg  Mg3  1  0.71  0.53  0.8  1.0
  Mg  Mg4  1  0.23  0.18  0.68  1.0
  Mg  Mg5  1  0.38  0.53  0.02  1.0
  Mg  Mg6  1  0.03  0.18  0.31  1.0
  Mg  Mg7  1  0.18  0.53  0.64  1.0
  Sn  Sn8  1  0.15  0.18  0.36  1.0
  Sn  Sn9  1  0.05  0.53  0.69  1.0
  Sn  Sn10  1  0.35  0.18  0.63  1.0
  Sn  Sn11  1  0.26  0.53  0.97  1.0

data_Mg2Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.71
_cell_length_b   6.4
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Sn
_chemical_formula_sum   'Mg8 Sn4'
_cell_volume   281.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.32  0.32  0.64  1.0
  Mg  Mg1  2  0.32  0.53  0.02  1.0
  Mg  Mg2  2  0.32  0.79  0.48  1.0
  Mg  Mg3  2  0.32  0.99  0.86  1.0
  Sn  Sn4  2  0.32  0.45  0.69  1.0
  Sn  Sn5  2  0.32  0.65  0.97  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Sn Sn Sn Sn