data_Mg2SnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   130.51
_cell_angle_beta   126.33
_cell_angle_gamma   76.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnGe
_chemical_formula_sum   'Mg2 Sn1 Ge1'
_cell_volume   87.04
_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  Mg1  1  0.0  0.38  0.15  1.0
  Mg  Mg2  1  0.2  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.15  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Mg2SnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.76
_cell_length_c   5.27
_cell_angle_alpha   116.84
_cell_angle_beta   114.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnGe
_chemical_formula_sum   'Mg2 Sn1 Ge1'
_cell_volume   87.04
_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  0.8  1.0
  Mg  Mg1  1  0.62  0.77  0.77  1.0
  Sn  Sn2  1  0.0  0.15  0.15  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Mg Mg Sn Ge
Mg Mg Sn Ge 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 