data_FeSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   137.45
_cell_angle_beta   137.45
_cell_angle_gamma   61.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Ge
_chemical_formula_sum   'Fe1 Sn2 Ge1'
_cell_volume   84.51
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.91  1.0
  Sn  Sn3  1  0.0  0.07  0.45  1.0
  Ge  Ge1  1  0.07  0.0  0.45  1.0

data_FeSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.72
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Ge
_chemical_formula_sum   'Fe1 Sn2 Ge1'
_cell_volume   84.51
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.38  0.45  0.38  1.0
  Sn  Sn2  1  0.91  0.91  0.91  1.0
  Ge  Ge3  1  0.45  0.38  0.38  1.0

Fe Sn Sn Ge
Fe Sn Sn Ge 0 1 o o - 2 3 o o o 