data_Mg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.53
_cell_length_b   10.53
_cell_length_c   10.53
_cell_angle_alpha   158.86
_cell_angle_beta   158.86
_cell_angle_gamma   30.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sn
_chemical_formula_sum   'Mg4 Sn2'
_cell_volume   151.66
_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  0.93  0.0  0.64  1.0
  Mg  Mg1  1  0.93  0.0  0.53  1.0
  Mg  Mg2  1  0.0  0.0  0.72  1.0
  Mg  Mg3  1  0.0  0.0  0.62  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.0  0.93  0.08  1.0

data_Mg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   10.53
_cell_angle_alpha   100.57
_cell_angle_beta   100.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sn
_chemical_formula_sum   'Mg4 Sn2'
_cell_volume   151.66
_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  0.53  0.6  0.6  1.0
  Mg  Mg1  1  0.62  0.62  0.62  1.0
  Mg  Mg2  1  0.64  0.7  0.7  1.0
  Mg  Mg3  1  0.72  0.72  0.72  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.15  0.08  0.15  1.0

Mg Mg Mg Mg Sn Sn