data_MgSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   27.02
_cell_angle_beta   27.02
_cell_angle_gamma   27.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiSn2
_chemical_formula_sum   'Mg1 Si1 Sn2'
_cell_volume   97.65
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.74  1.0
  Sn  Sn2  1  0.0  0.0  0.62  1.0
  Sn  Sn3  1  0.0  0.0  0.85  1.0

data_MgSiSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   3.8
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSiSn2
_chemical_formula_sum   'Mg2 Si2 Sn4'
_cell_volume   195.3
_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  0.0  0.0  0.0  1.0
  Si  Si1  2  -0.0  0.0  0.26  1.0
  Sn  Sn2  2  -0.0  0.0  0.38  1.0
  Sn  Sn3  2  -0.0  0.0  0.15  1.0

Mg Si Sn Sn