data_Mg2SiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   131.32
_cell_angle_beta   126.39
_cell_angle_gamma   75.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SiSn
_chemical_formula_sum   'Mg2 Si1 Sn1'
_cell_volume   83.62
_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  0.15  0.0  0.98  1.0
  Mg  Mg1  1  0.0  0.35  0.15  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.13  1.0

data_Mg2SiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.71
_cell_length_c   5.22
_cell_angle_alpha   116.81
_cell_angle_beta   114.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SiSn
_chemical_formula_sum   'Mg2 Si1 Sn1'
_cell_volume   83.62
_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  0.98  0.83  1.0
  Mg  Mg1  1  0.65  0.8  0.8  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.13  0.13  1.0

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